Geometry & MOs

Info

ID:	273040
PubChem CID:	103770374
Reduced:	BrClNF2O3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	234.092832
ΔH_f, kcal/mol:	-220.31
Dipole, Da:	2.71
IP(EA), eV:	-9.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C(F)F)O)OC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations