Geometry & MOs

Info

ID:	179655
PubChem CID:	76517859
Reduced:	O3H20C22 (1)
Stoich.:	A3B20C22 (1)
Weight, g/mol:	381.101362
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	2.49
IP(EA), eV:	-9.51(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,1-difluoro-4-[4-[(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)methyl]triazol-1-yl]butyl]phosphonic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC(C2=CC=CC=C2)C(C3=CC=CC=C3)O

DOS

IR

Vibrations