Geometry & MOs

Info

ID:	435967
PubChem CID:	135193074
Reduced:	BrNC12H14 (1)
Stoich.:	ABC12D14 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	51.44
Dipole, Da:	3.58
IP(EA), eV:	-8.32(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,7,9,9a-tetrahydro-4aH-carbazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C/C=C(\C=C/CN2)/Br

DOS

IR

Vibrations