Geometry & MOs

Info

ID:	241675
PubChem CID:	96023983
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	15.74
Dipole, Da:	1.7
IP(EA), eV:	-8.62(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6,7-dimethyl-1-[(1R)-1-phenylpropyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC[C@H]([C@@H]1C2=C(CCN1)C=C(C(=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations