Geometry & MOs

Info

ID:	403751
PubChem CID:	135061654
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-155.84
Dipole, Da:	5.33
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aS,9aR)-5,7-dimethyl-1,2,3,4,4a,9a-hexahydrocarbazole-9-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)[C@@H]3CCCC[C@H]3N2C(=O)OC

DOS

IR

Vibrations