Geometry & MOs

Info

ID:	309854
PubChem CID:	126562406
Reduced:	Cl2O2N7C19H19 (1)
Stoich.:	A2B2C7D19E19 (1)
Weight, g/mol:	662.13025
ΔH_f, kcal/mol:	14.66
Dipole, Da:	8.83
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[6-amino-5-[(Z)-amino-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]methyl]pyridin-3-yl]-5-iodophenyl]pentanamide

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=NC(=NC3=C2C(=C(N3)/C=C/Cl)Cl)OC4=CN=CC(=C4)C(=O)N

DOS

IR

Vibrations