Geometry & MOs

Info

ID:	235529
PubChem CID:	92709954
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	409.179027
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	4.65
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2-methylphenyl)-2-phenyl-4,10-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2[C@H]1C4=CC(=CC=C4)O)C5=CC=CC=C5

DOS

IR

Vibrations