Geometry & MOs

Info

ID:	59428
PubChem CID:	24863622
Reduced:	N2O2Cl3H9C16 (1)
Stoich.:	A2B2C3D9E16 (1)
Weight, g/mol:	492.130666
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	2.28
IP(EA), eV:	-9.06(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-chloro-3-methoxyphenyl)piperidin-4-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C(=O)NC2=C(C=C3C(=C2)C=CNC3=O)Cl

DOS

IR

Vibrations