Geometry & MOs

Info

ID:	310150
PubChem CID:	126575576
Reduced:	OC12H13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	531.157025
ΔH_f, kcal/mol:	0.02
Dipole, Da:	2.75
IP(EA), eV:	-7.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-3-methyl-4-(piperidin-1-ylmethyl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(CC1)/C=C/C2=CC=C(C=C2)/C=C/C3=CC=C(CC3)OC

DOS

IR

Vibrations