Geometry & MOs

Info

ID:	78485
PubChem CID:	49693265
Reduced:	F2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	398.200571
ΔH_f, kcal/mol:	-176.16
Dipole, Da:	3.63
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)COC2=CC=C(C=C2)F)C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations