Geometry & MOs

Info

ID:	28648
PubChem CID:	828774
Reduced:	NOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	349.215413
ΔH_f, kcal/mol:	32.36
Dipole, Da:	1.85
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-phenylcyclohexyl)piperazin-1-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC3=C2C1=CC=C3

DOS

IR

Vibrations