Geometry & MOs

Info

ID:	241696
PubChem CID:	96024034
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-59.42
Dipole, Da:	5.16
IP(EA), eV:	-8.86(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3CCN(CC3)C(=O)C

DOS

IR

Vibrations