Geometry & MOs

Info

ID:	30439
PubChem CID:	841338
Reduced:	NSO4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	283.027917
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	7.12
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)OC(C)C)C(=O)OC

DOS

IR

Vibrations