Geometry & MOs

Info

ID:	173889
PubChem CID:	75693945
Reduced:	N4O7C19H23 (1)
Stoich.:	A4B7C19D23 (1)
Weight, g/mol:	390.120229
ΔH_f, kcal/mol:	-236.94
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123026
Charge, e:	1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-4-oxo-3-(pyridine-3-carbonylamino)-5H-pyrido[1,2-a]pyrimidin-5-ium-9-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NC1=CN=C2C(=CC=C[NH+]2C1=O)C(=O)NCC(=O)OCC

DOS

IR

Vibrations