Geometry & MOs

Info

ID:	62321
PubChem CID:	26719229
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	331.168462
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	3.69
IP(EA), eV:	-8.72(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(2,3-dimethylphenyl)-2-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C)C

DOS

IR

Vibrations