Geometry & MOs

Info

ID:	72812
PubChem CID:	48416572
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	406.167477
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	2.34
IP(EA), eV:	-9.14(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=CC=CC=C3C=C2)N4CCNC4=O

DOS

IR

Vibrations