Geometry & MOs

Info

ID:	151834
PubChem CID:	56310647
Reduced:	ClN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-55.45
Dipole, Da:	6.26
IP(EA), eV:	-9.35(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations