Geometry & MOs

Info

ID:	403472
PubChem CID:	135060468
Reduced:	OSN3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	315.121906
ΔH_f, kcal/mol:	82.45
Dipole, Da:	4.24
IP(EA), eV:	-8.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-bis(2-hydroxyethyl)-3-oxo-5H-pyrido[4,3-b]indole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C(=C(C(=N3)C4=CC=C(C=C4)OC)C#N)SC

DOS

IR

Vibrations