Geometry & MOs

Info

ID:	313799
PubChem CID:	126617824
Reduced:	FO3N5H16C19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	6.56
IP(EA), eV:	-8.81(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxypyrimido[1,2-a]benzimidazole-2-carboxylic acid;dihydrate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC(=NC3=N2)C(=O)NC4=CN=C(C=C4)OCCF

DOS

IR

Vibrations