Geometry & MOs

Info

ID:	367051
PubChem CID:	127323034
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	7.07
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]ethyl]sulfanyl-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CC(C2)(C)C)C(=O)N3CCN(CC3)C(C)C4=CN=CC=C4

DOS

IR

Vibrations