Geometry & MOs

Info

ID:	242005
PubChem CID:	96025035
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	2.33
IP(EA), eV:	-8.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-7,8-dimethyl-1-[(1E,3E)-penta-1,3-dienyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)COC3=CC=CC=C3

DOS

IR

Vibrations