Geometry & MOs

Info

ID:	225050
PubChem CID:	85735846
Reduced:	NI2O4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	342.111676
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	4.25
IP(EA), eV:	-9.88(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carbamoylquinolin-2-yl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1I)O)I)CCCO)[N+](=O)[O-]

DOS

IR

Vibrations