Geometry & MOs

Info

ID:	242004
PubChem CID:	96025031
Reduced:	NC14H19 (1)
Stoich.:	AB14C19 (1)
Weight, g/mol:	267.162314
ΔH_f, kcal/mol:	6.57
Dipole, Da:	2.77
IP(EA), eV:	-8.78(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations