Geometry & MOs

Info

ID:	242031
PubChem CID:	96025156
Reduced:	NSC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	-11.02
Dipole, Da:	4.43
IP(EA), eV:	-8.56(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(2-methylprop-1-enyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@@H](C)S

DOS

IR

Vibrations