Geometry & MOs

Info

ID:	130002
PubChem CID:	51074562
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	283.077933
ΔH_f, kcal/mol:	37.97
Dipole, Da:	4.28
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrazol-1-yl-N-(2-thiophen-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)/C=C/C2=CC=CC=C2C#N

DOS

IR

Vibrations