Geometry & MOs

Info

ID:	330524
PubChem CID:	127247931
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	324.179755
ΔH_f, kcal/mol:	-122.44
Dipole, Da:	1.12
IP(EA), eV:	-9.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-methyl-4-[2-(2-oxopyrrolidin-1-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC(C2)C(=O)NC)C(=O)C

DOS

IR

Vibrations