Geometry & MOs

Info

ID:	405219
PubChem CID:	135073054
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	411.120148
ΔH_f, kcal/mol:	-11.28
Dipole, Da:	4.26
IP(EA), eV:	-9.5(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)O/N=C(\C1CCCC=C1)/C2=CC=CC=C2

DOS

IR

Vibrations