Geometry & MOs

Info

ID:	30826
PubChem CID:	841976
Reduced:	ON2Cl3H5C10 (1)
Stoich.:	AB2C3D5E10 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	16.36
Dipole, Da:	6.61
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(=C(Cl)Cl)C#N)Cl

DOS

IR

Vibrations