Geometry & MOs

Info

ID:	64228
PubChem CID:	29198603
Reduced:	SN4O6C24H26 (1)
Stoich.:	AB4C6D24E26 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-147.79
Dipole, Da:	7.24
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations