Geometry & MOs

Info

ID:	156453
PubChem CID:	56370685
Reduced:	NO5C25H31 (1)
Stoich.:	AB5C25D31 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-168.29
Dipole, Da:	5.13
IP(EA), eV:	-8.23(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations