Geometry & MOs

Info

ID:	135618
PubChem CID:	51902703
Reduced:	N2C13H16 (2)
Stoich.:	A2B13C16 (2)
Weight, g/mol:	401.304228
ΔH_f, kcal/mol:	63.66
Dipole, Da:	5.57
IP(EA), eV:	-8.62(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-cyclohexyl-4-[1-(3-methoxyphenyl)piperidin-4-yl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC[C@@H](C)CN1CCC[C@@H](C1)C2=NC(=NC=C2C3=CC=CC=C3C)C4=CC=NC=C4

DOS

IR

Vibrations