Geometry & MOs

Info

ID:	56556
PubChem CID:	17436297
Reduced:	NO4C21H21 (1)
Stoich.:	AB4C21D21 (1)
Weight, g/mol:	457.214761
ΔH_f, kcal/mol:	-103.76
Dipole, Da:	2.76
IP(EA), eV:	-8.43(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)COC3=CC=CC4=C3CCC=C4)OC1

DOS

IR

Vibrations