Geometry & MOs

Info

ID:	183992
PubChem CID:	77100837
Reduced:	N3O4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	267.121906
ΔH_f, kcal/mol:	-63.77
Dipole, Da:	6.41
IP(EA), eV:	-10.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN1C(=C(C(=N1)C)[N+](=O)[O-])C)C(=O)O

DOS

IR

Vibrations