Geometry & MOs

Info

ID:	241702
PubChem CID:	96024041
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	279.1987
ΔH_f, kcal/mol:	9.4
Dipole, Da:	2.22
IP(EA), eV:	-8.75(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)CCCC3=CC=CC=C3

DOS

IR

Vibrations