Geometry & MOs

Info

ID:	166471
PubChem CID:	74694866
Reduced:	NO3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	19.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805168
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxynaphthalen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)[O-]

DOS

IR

Vibrations