Geometry & MOs

Info

ID:	31159
PubChem CID:	854875
Reduced:	NOH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	340.097855
ΔH_f, kcal/mol:	-0.21
Dipole, Da:	4.73
IP(EA), eV:	-8.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H](N[C@@H](C2=C1C3=CC=CC=C3N2)C4=CC=CC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations