Geometry & MOs

Info

ID:	85488
PubChem CID:	49875832
Reduced:	BrN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	376.176248
ΔH_f, kcal/mol:	-40.32
Dipole, Da:	3.44
IP(EA), eV:	-9.13(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC(=CC=C5)Br

DOS

IR

Vibrations