Geometry & MOs

Info

ID:	152960
PubChem CID:	56312061
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-58.52
Dipole, Da:	5.49
IP(EA), eV:	-8.73(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C(C)N2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations