Geometry & MOs

Info

ID:	242084
PubChem CID:	96025639
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	-99.38
Dipole, Da:	4.58
IP(EA), eV:	-8.7(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-5,8-dimethyl-1-[(2R)-piperidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)[C@@H]3CCCC[C@@H]3C(=O)O

DOS

IR

Vibrations