Geometry & MOs

Info

ID:	241764
PubChem CID:	96024183
Reduced:	NC21H27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	288.162649
ΔH_f, kcal/mol:	4.12
Dipole, Da:	2.05
IP(EA), eV:	-8.64(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)[C@H]2C3=C(CCN2)C=C(C(=C3)C)C

DOS

IR

Vibrations