Geometry & MOs

Info

ID:	307553
PubChem CID:	125307458
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	281.12766
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	6.98
IP(EA), eV:	-8.62(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2,5-dimethylpyrazol-3-yl)-4,10-dihydro-3H-pyrimido[1,2-a]benzimidazol-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(=C2C=CC=CC2=N1)C(=O)C(=O)NC3=C4CSC[C@@H]4NN3CC(=O)NCCOC

DOS

IR

Vibrations