Geometry & MOs

Info

ID:	156486
PubChem CID:	56370812
Reduced:	FN3O5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-221.01
Dipole, Da:	3.66
IP(EA), eV:	-7.96(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCCCC2CCC3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)F

DOS

IR

Vibrations