Geometry & MOs

Info

ID:	414072
PubChem CID:	135087026
Reduced:	N2O6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-225.78
Dipole, Da:	2.92
IP(EA), eV:	-8.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-thiophen-2-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC(C1C2=C(CCN1)C3=CC=CC=C3N2)C(C(=O)OC)OC(=O)C

DOS

IR

Vibrations