Geometry & MOs

Info

ID:	315894
PubChem CID:	126629347
Reduced:	FN2O3C28H29 (1)
Stoich.:	AB2C3D28E29 (1)
Weight, g/mol:	446.236956
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	3.32
IP(EA), eV:	-9.38(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-5-[2-(ethylaminomethyl)phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(N=CC(=C2)C3=CC=CC=C3CCC(=O)C)OCC4CC4)F

DOS

IR

Vibrations