Geometry & MOs

Info

ID:	227990
PubChem CID:	87563188
Reduced:	NCl2S2O3H7C12 (1)
Stoich.:	AB2C2D3E7F12 (1)
Weight, g/mol:	286.179361
ΔH_f, kcal/mol:	12.98
Dipole, Da:	5.2
IP(EA), eV:	-9.32(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N'-hydroxypropanimidamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)Cl)SC2=C(C=C(S2)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations