Geometry & MOs

Info

ID:	405024
PubChem CID:	135072232
Reduced:	NOCl2H21C24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	387.199843
ΔH_f, kcal/mol:	29.79
Dipole, Da:	4.57
IP(EA), eV:	-8.89(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-[bis[(4-methylphenyl)methyl]amino]-5-fluorophenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=CC=CC=C1N(CC2=CC(=CC=C2)Cl)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations