Geometry & MOs

Info

ID:	15329
PubChem CID:	438041
Reduced:	N3H15C17 (1)
Stoich.:	A3B15C17 (1)
Weight, g/mol:	261.126598
ΔH_f, kcal/mol:	87.43
Dipole, Da:	3.45
IP(EA), eV:	-8.47(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-phenyl-10,10a-dihydropyrimido[1,2-a]benzimidazole

Drug info:

PubChemData

Smile

CC1=CC(=NC2N1C3=CC=CC=C3N2)C4=CC=CC=C4

DOS

IR

Vibrations