Geometry & MOs

Info

ID:	252022
PubChem CID:	103108534
Reduced:	FNOC7H10 (2)
Stoich.:	ABCD7E10 (2)
Weight, g/mol:	261.128883
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	6.28
IP(EA), eV:	-9.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,2-difluoroethyl)-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC(C1=C(C=CC(=C1)F)F)O

DOS

IR

Vibrations