Geometry & MOs

Info

ID:	241871
PubChem CID:	96024443
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	290.178299
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	2.81
IP(EA), eV:	-8.57(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(5-methyl-1H-indol-2-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@@H]3CCCCN3)C=C1)C

DOS

IR

Vibrations