Geometry & MOs

Info

ID:	183991
PubChem CID:	77100836
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-166.06
Dipole, Da:	5.86
IP(EA), eV:	-10.06(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN1CCOC1=O)C(=O)OC

DOS

IR

Vibrations