Geometry & MOs

Info

ID:	216305
PubChem CID:	85086020
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	-165.09
Dipole, Da:	6.74
IP(EA), eV:	-9.35(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)hydrazinylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)CC1=CC=C(N1C)C(=O)C

DOS

IR

Vibrations