Geometry & MOs

Info

ID:	241143
PubChem CID:	96021501
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	203.1674
ΔH_f, kcal/mol:	-16.34
Dipole, Da:	4.68
IP(EA), eV:	-8.79(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-tert-butyl-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations