Geometry & MOs

Info

ID:	235533
PubChem CID:	92709959
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	440.148455
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	2.06
IP(EA), eV:	-8.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2-nitrophenyl)-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=C4OC)C5=CC=CC=C5

DOS

IR

Vibrations