Geometry & MOs

Info

ID:	72876
PubChem CID:	48416640
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	373.175004
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	7.04
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-(cyclopropylamino)-3-nitrobenzoyl]piperidin-3-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)N2CCCC(C2)N3CCNC3=O

DOS

IR

Vibrations