Geometry & MOs

Info

ID:	147210
PubChem CID:	53786864
Reduced:	ClO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	2.83
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aR)-N-methyl-N-(methylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCCCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations