Geometry & MOs

Info

ID:	4034
PubChem CID:	10620
Reduced:	NOC19H32 (1)
Stoich.:	ABC19D32 (1)
Weight, g/mol:	290.24839
ΔH_f, kcal/mol:	-31.81
Dipole, Da:	1.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751224
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-1-(1-methylpiperidin-1-ium-1-yl)-4-phenylhexan-3-ol

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CC=C1)C(CC[N+]2(CCCCC2)C)O

DOS

IR

Vibrations