Geometry & MOs

Info

ID:	9838
PubChem CID:	93753
Reduced:	ClNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	265.123342
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	3.2
IP(EA), eV:	-8.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,9aR)-2-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol

Drug info:

PubChemData

Smile

C1CCN2CC[C@@](C[C@H]2C1)(C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations