Geometry & MOs

Info

ID:	412577
PubChem CID:	135085474
Reduced:	ON2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	213.102788
ΔH_f, kcal/mol:	24.08
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107240
Charge, e:	1

Chem-info

IUPAC name:

1-methoxy-9-methylpyrido[2,3-b]indol-1-ium

Drug info:

PubChemData

Smile

CC1CC=CC(=C1[N+]#N)O

DOS

IR

Vibrations