Geometry & MOs

Info

ID:	379273
PubChem CID:	134356997
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	399.170668
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	5.41
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1E,3Z)-1,4-diamino-4-(2-fluorophenyl)buta-1,3-dienyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CN2CCCC(=C2C(=O)N(C)C)C=O)C3=CC=CC=C3

DOS

IR

Vibrations