Geometry & MOs

Info

ID:	235560
PubChem CID:	92710038
Reduced:	FN3O3H22C26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	3.71
IP(EA), eV:	-8.46(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-4-[4-(dimethylamino)phenyl]-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2NC3=CC=CC=C3N2[C@H]1C4=CC=CC=C4F)C5=CC=C(C=C5)OC

DOS

IR

Vibrations