Geometry & MOs

Info

ID:	436976
PubChem CID:	135213423
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	4.2
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-5-acetyl-3-amino-N-(2-amino-5-pyridin-4-ylphenyl)-3,4,5,8-tetrahydro-2H-azocine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2CCC(C1)N2C(=O)NC3=C(C=CC(=C3)C4=CC=NC=C4)N

DOS

IR

Vibrations