Geometry & MOs

Info

ID:	156708
PubChem CID:	56371831
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	397.225308
ΔH_f, kcal/mol:	-43.81
Dipole, Da:	5.35
IP(EA), eV:	-8.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=C(N=N2)C(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC)C

DOS

IR

Vibrations