Geometry & MOs

Info

ID:	224017
PubChem CID:	85337061
Reduced:	ClO2F3N6H16C20 (1)
Stoich.:	AB2C3D6E16F20 (1)
Weight, g/mol:	469.259009
ΔH_f, kcal/mol:	-73.07
Dipole, Da:	3.68
IP(EA), eV:	-9.32(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-butyl-3-[[4-[4-(tetrazolidin-5-yl)phenyl]pyridin-3-yl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Cl)C2C(=C3NN=CO3)C(=NC(=N2)C4=C(C=C(C=N4)F)F)CNCCO

DOS

IR

Vibrations