Geometry & MOs

Info

ID:	166057
PubChem CID:	74631196
Reduced:	N2O7H14C20 (1)
Stoich.:	A2B7C14D20 (1)
Weight, g/mol:	368.08479
ΔH_f, kcal/mol:	-92.67
Dipole, Da:	5.97
IP(EA), eV:	-10.42(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromophenyl)ethylideneamino]-3-(3-hydroxy-5-methylpyrazolidin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])[O-]

DOS

IR

Vibrations