Geometry & MOs

Info

ID:	307486
PubChem CID:	125307131
Reduced:	N2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-18.56
Dipole, Da:	4.08
IP(EA), eV:	-8.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,9aR)-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC2=C3C=CC=CC3=N[C@H]2CN1

DOS

IR

Vibrations