Geometry & MOs

Info

ID:	21935
PubChem CID:	593930
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-51.19
Dipole, Da:	2.18
IP(EA), eV:	-8.33(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2

DOS

IR

Vibrations