Geometry & MOs

Info

ID:	30106
PubChem CID:	839982
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	246.07529
ΔH_f, kcal/mol:	-13.82
Dipole, Da:	7.73
IP(EA), eV:	-9.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-nitro-N-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C(/C#N)\C(=O)NC2CCCCC2

DOS

IR

Vibrations