Geometry & MOs

Info

ID:

433630

PubChem CID:

135173770

Reduced:

ClON8C36H39 (1)

Stoich.:

ABC8D36E39 (1)

Weight, g/mol:

653.359057

ΔHf, kcal/mol:

71.42

Dipole, Da:

4.12

IP(EA), eV:

 -8.35(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-1-[[4-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]pyrido[3,2-d]pyrimidin-7-yl]methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)N=C(N2C)C(=O)NC3=CC=CC(=C3Cl)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations