Geometry & MOs

Info

ID:	359825
PubChem CID:	127299869
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	3.41
IP(EA), eV:	-8.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations