Geometry & MOs

Info

ID:	156571
PubChem CID:	56371197
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	4.04
IP(EA), eV:	-8.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-(4-ethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations