Geometry & MOs

Info

ID:	367357
PubChem CID:	127324309
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	3.98
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2CCN(C2)C3CC3)OC4=CC=CC=C4C#N

DOS

IR

Vibrations