Geometry & MOs

Info

ID:	23584
PubChem CID:	604732
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	30.22
Dipole, Da:	8.49
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-8-nitro-1,3,4,5-tetrahydropyrido[4,3-b]indole

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations