Geometry & MOs

Info

ID:	235536
PubChem CID:	92709964
Reduced:	ClN4O4H19C25 (1)
Stoich.:	AB4C4D19E25 (1)
Weight, g/mol:	455.184506
ΔH_f, kcal/mol:	14.23
Dipole, Da:	7.03
IP(EA), eV:	-8.8(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2,5-dimethoxyphenyl)-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=C(C=CC(=C4)[N+](=O)[O-])Cl)C5=CC=CC=C5

DOS

IR

Vibrations