Geometry & MOs

Info

ID:	214219
PubChem CID:	84974671
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-27.68
Dipole, Da:	3.39
IP(EA), eV:	-7.88(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxynaphthalen-2-yl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations