Geometry & MOs

Info

ID:	313785
PubChem CID:	126617678
Reduced:	FN4O6C33H33 (1)
Stoich.:	AB4C6D33E33 (1)
Weight, g/mol:	320.102174
ΔH_f, kcal/mol:	-178.11
Dipole, Da:	13.86
IP(EA), eV:	-8.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-2-oxopyrimidin-5-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)N(C(=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=NC=NC5=CC(=C(C=C54)OC)OCCCOC)F)C)C

DOS

IR

Vibrations