Geometry & MOs

Info

ID:	140662
PubChem CID:	52738587
Reduced:	BrFN2O2C21H24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	1.78
IP(EA), eV:	-9.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyanophenyl)methoxy]-N-[(2S)-2-(dimethylamino)-2-phenylethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)NC(=O)CNC2(CCOCC2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations