Geometry & MOs

Info

ID:	235554
PubChem CID:	92710012
Reduced:	N3O5H27C28 (1)
Stoich.:	A3B5C27D28 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	4.21
IP(EA), eV:	-8.36(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-2-(4-methoxyphenyl)-4-pyridin-2-yl-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)OC)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations