Geometry & MOs

Info

ID:	241946
PubChem CID:	96024742
Reduced:	N2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	284.225249
ΔH_f, kcal/mol:	-9.13
Dipole, Da:	2.96
IP(EA), eV:	-8.44(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2[C@@H]3C[C@@H]4CCCC[C@@H]4N3)C=C1)C

DOS

IR

Vibrations