Geometry & MOs

Info

ID:	241701
PubChem CID:	96024040
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	16.74
Dipole, Da:	2.27
IP(EA), eV:	-8.8(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2CCCC3=CC=CC=C3)C=C1)C

DOS

IR

Vibrations