Geometry & MOs

Info

ID:	30785
PubChem CID:	841877
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	322.088832
ΔH_f, kcal/mol:	69.88
Dipole, Da:	4.99
IP(EA), eV:	-9.23(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC=NN3C)C

DOS

IR

Vibrations