Geometry & MOs

Info

ID:	241699
PubChem CID:	96024038
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	0.81
IP(EA), eV:	-8.56(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@H]2C3=C(CCN2)C=C(C(=C3)C)C)OC

DOS

IR

Vibrations