Geometry & MOs

Info

ID:

433934

PubChem CID:

135174081

Reduced:

ClON8C34H35 (1)

Stoich.:

ABC8D34E35 (1)

Weight, g/mol:

686.369287

ΔHf, kcal/mol:

73.17

Dipole, Da:

2.26

IP(EA), eV:

 -8.31(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-methyl-2-[[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCNC3)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)Cl

DOS

IR

Vibrations