Geometry & MOs

Info

ID:	81279
PubChem CID:	49854543
Reduced:	NaO2C3N3H9 (1)
Stoich.:	AB2C3D3E9 (1)
Weight, g/mol:	448.163436
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	6.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774082
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 1-hydroxy-2-(2-methoxyethyl)-8,9-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)N=[N+](NO)[O-].[Na+]

DOS

IR

Vibrations