Geometry & MOs

Info

ID:	411269
PubChem CID:	135084082
Reduced:	N3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	237.074956
ΔH_f, kcal/mol:	47.39
Dipole, Da:	2.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.947670
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]acetate

Drug info:

PubChemData

Smile

CN1C=CC(=C1)/C(=C\C=[N+](C)C)/N(C)C

DOS

IR

Vibrations