Geometry & MOs

Info

ID:	402011
PubChem CID:	135053863
Reduced:	BrNH16C22 (1)
Stoich.:	ABC16D22 (1)
Weight, g/mol:	324.220164
ΔH_f, kcal/mol:	135.34
Dipole, Da:	2.73
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11bR)-11b-hexyl-10-methyl-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indol-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCC2=CC=CC=C2N=CC3=CC=C(C=C3)Br

DOS

IR

Vibrations