Geometry & MOs

Info

ID:	64574
PubChem CID:	29203019
Reduced:	NSO6H21C22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-175.44
Dipole, Da:	9.36
IP(EA), eV:	-9.34(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations