Geometry & MOs

Info

ID:	30784
PubChem CID:	841876
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	336.104482
ΔH_f, kcal/mol:	-42.88
Dipole, Da:	6.34
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations