Geometry & MOs

Info

ID:	241945
PubChem CID:	96024741
Reduced:	N3C17H21 (1)
Stoich.:	A3B17C21 (1)
Weight, g/mol:	284.225249
ΔH_f, kcal/mol:	26.33
Dipole, Da:	4.44
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

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CC1=CC2=C(C=C1C)[C@H](NCC2)C3=C(N=CN=C3C)C

DOS

IR

Vibrations