Geometry & MOs

Info

ID:	76025
PubChem CID:	48424314
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	384.202463
ΔH_f, kcal/mol:	-134.75
Dipole, Da:	6.25
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1Br)OCCO2)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations