Geometry & MOs

Info

ID:	128791
PubChem CID:	51058106
Reduced:	ClNH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	399.160121
ΔH_f, kcal/mol:	23.32
Dipole, Da:	4.76
IP(EA), eV:	-8.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1-(4-methylpiperidin-1-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=CC3=CC=CC=C32)Cl.Cl

DOS

IR

Vibrations