Geometry & MOs

Info

ID:	375995
PubChem CID:	134221994
Reduced:	OF3N3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	417.185942
ΔH_f, kcal/mol:	-143.76
Dipole, Da:	4.77
IP(EA), eV:	-9.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-5-methylphenyl)but-1-enyl]-2-methyl-N-[(4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CNC(=O)C2=NC=C(C=C2C)/C=C/C(C3=CC(=CC(=C3)C)C)C(F)(F)F

DOS

IR

Vibrations