Geometry & MOs

Info

ID:	241907
PubChem CID:	96024561
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	2.86
IP(EA), eV:	-8.78(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-1-(3-phenylprop-1-en-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations