Geometry & MOs

Info

ID:	241717
PubChem CID:	96024070
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	-104.24
Dipole, Da:	4.58
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(1H-indol-2-yl)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations