Geometry & MOs

Info

ID:	173421
PubChem CID:	75637050
Reduced:	N3O3C11H18 (1)
Stoich.:	A3B3C11D18 (1)
Weight, g/mol:	357.055456
ΔH_f, kcal/mol:	-100.31
Dipole, Da:	6.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793262
Charge, e:	-1

Chem-info

IUPAC name:

4-[(3-chloro-4-fluorophenyl)carbamoyl]-3,4-dihydropyrimido[1,2-a]benzimidazol-2-olate

Drug info:

PubChemData

Smile

CC1(C(N(C(=O)O1)CCC2=C[NH2+]C=N2)(C)O)C

DOS

IR

Vibrations