Geometry & MOs

Info

ID:	46300
PubChem CID:	10523791
Reduced:	ClNOC23H38 (1)
Stoich.:	ABCD23E38 (1)
Weight, g/mol:	379.04192
ΔH_f, kcal/mol:	-116.88
Dipole, Da:	7.2
IP(EA), eV:	-8.72(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aS,8bS)-6-bromo-8b-(3-methylbut-2-enyl)-2-oxo-1,3a-dihydrofuro[2,3-b]indole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC[NH+](C1)CCCCCC2CCCC3=C2C=CC(=C3)OC)C.[Cl-]

DOS

IR

Vibrations