Geometry & MOs

Info

ID:	42923
PubChem CID:	10317154
Reduced:	NCl2O5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	372.106193
ΔH_f, kcal/mol:	-209.12
Dipole, Da:	5.75
IP(EA), eV:	-9.07(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-di(propan-2-yloxy)phosphoryl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC(=C(C(=O)O2)C(=O)NC3=C(C=CC=C3Cl)Cl)O

DOS

IR

Vibrations