Geometry & MOs

Info

ID:

186631

PubChem CID:

77457140

Reduced:

FO2N7H28C29 (1)

Stoich.:

AB2C7D28E29 (1)

Weight, g/mol:

522.275467

ΔHf, kcal/mol:

-2.24

Dipole, Da:

11.48

IP(EA), eV:

 -9.11(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[4-[1-acetyl-4-[(3-fluoropyridin-2-yl)amino]-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2=C(N=CC(=C2)C#N)NCC3=CC=C(C=C3)C4=CN=C(C(=N4)CCCO)N

DOS

IR

Vibrations