Geometry & MOs

Info

ID:	196739
PubChem CID:	78872197
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	2.73
IP(EA), eV:	-9.24(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations