Geometry & MOs

Info

ID:	403750
PubChem CID:	135061653
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	6.48
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (4bS,8aR)-4b,5,6,7,8,8a-hexahydrocarbazole-2,9-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C2C(=C1)C=CN2CC3=CC=CC=N3

DOS

IR

Vibrations