Geometry & MOs

Info

ID:	315886
PubChem CID:	126629294
Reduced:	F2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	462.231871
ΔH_f, kcal/mol:	-138.15
Dipole, Da:	4.6
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-5-[2-(dimethylamino)-6-(hydroxymethyl)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=C(C(=CC=C3)F)CO)OCC4CC4)F

DOS

IR

Vibrations