Geometry & MOs

Info

ID:	388653
PubChem CID:	134989757
Reduced:	OPSN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	261.124229
ΔH_f, kcal/mol:	22.54
Dipole, Da:	5.43
IP(EA), eV:	-8.49(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-diethoxyphosphoryltriazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C(=NC=P3)S2

DOS

IR

Vibrations