Geometry & MOs

Info

ID:	369042
PubChem CID:	127331164
Reduced:	O3N6C16H24 (1)
Stoich.:	A3B6C16D24 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-92.64
Dipole, Da:	1.81
IP(EA), eV:	-8.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations