Geometry & MOs

Info

ID:	145003
PubChem CID:	53447488
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	36.58
Dipole, Da:	7.93
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethoxyphenyl)ethylideneamino]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C3CC(NN3)C(=O)NN=CC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations