Geometry & MOs

Info

ID:	241885
PubChem CID:	96024498
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-43.14
Dipole, Da:	1.49
IP(EA), eV:	-8.67(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-[(2S)-oxolan-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2[C@H]3CCCO3)C=C1)C

DOS

IR

Vibrations