Geometry & MOs

Info

ID:	185065
PubChem CID:	77250773
Reduced:	N2O6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	422.150954
ΔH_f, kcal/mol:	-242.59
Dipole, Da:	3.44
IP(EA), eV:	-9.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(7-oxo-3,6-dihydro-2H-azepin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCCN(C1=C2C(=C(C(=C1CC=C(C)CCC(=O)O)OC)C)COC2=O)C(=O)N

DOS

IR

Vibrations