Geometry & MOs

Info

ID:	241719
PubChem CID:	96024089
Reduced:	N2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	278.178299
ΔH_f, kcal/mol:	24.38
Dipole, Da:	4.37
IP(EA), eV:	-8.02(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@H]3CC4=CC=CC=C4N3

DOS

IR

Vibrations