Geometry & MOs

Info

ID:	235544
PubChem CID:	92709994
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	3.96
IP(EA), eV:	-8.49(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-2-(4-methoxyphenyl)-4-(2-methylphenyl)-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=C(C=C5)OC

DOS

IR

Vibrations