Geometry & MOs

Info

ID:	189263
PubChem CID:	77836105
Reduced:	N2Cl3O5C27H41 (1)
Stoich.:	A2B3C5D27E41 (1)
Weight, g/mol:	363.05824
ΔH_f, kcal/mol:	-291.33
Dipole, Da:	7.73
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl) carbamate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OCC(=O)OC)N(CCN2CCCCC2)CC(C3=CC(=CC=C3)Cl)O.O.Cl.Cl

DOS

IR

Vibrations