Geometry & MOs

Info

ID:	30545
PubChem CID:	841476
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-5.99
Dipole, Da:	5.07
IP(EA), eV:	-8.67(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-methyl-N-(2-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC=C(O3)C

DOS

IR

Vibrations