Geometry & MOs

Info

ID:	235548
PubChem CID:	92710001
Reduced:	N4O5H22C26 (1)
Stoich.:	A4B5C22D26 (1)
Weight, g/mol:	504.120047
ΔH_f, kcal/mol:	-18.3
Dipole, Da:	6.38
IP(EA), eV:	-8.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(2-chloro-5-nitrophenyl)-2-(4-methoxyphenyl)-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[N+](=O)[O-])C5=CC=C(C=C5)OC

DOS

IR

Vibrations