Geometry & MOs

Info

ID:	133180
PubChem CID:	51488259
Reduced:	OSN3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	41.8
Dipole, Da:	5.02
IP(EA), eV:	-9.02(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCCC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations