Geometry & MOs

Info

ID:	235542
PubChem CID:	92709988
Reduced:	N3O3H25C27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	443.16452
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	2.88
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-(3-fluorophenyl)-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)C)C5=CC=C(C=C5)OC

DOS

IR

Vibrations