Geometry & MOs

Info

ID:	313792
PubChem CID:	126617790
Reduced:	FOSN6H17C22 (1)
Stoich.:	ABCD6E17F22 (1)
Weight, g/mol:	426.144038
ΔH_f, kcal/mol:	47.91
Dipole, Da:	3.83
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,8-bis(5-methoxypyridin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=NC3=C(C2=O)C(=CC=C3)F)CSC4=NC=NC5=C4NC=N5

DOS

IR

Vibrations