Geometry & MOs

Info

ID:	310141
PubChem CID:	126575146
Reduced:	O2N3C12H25 (1)
Stoich.:	A2B3C12D25 (1)
Weight, g/mol:	379.083156
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	1.45
IP(EA), eV:	-9.32(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-3,5-difluorophenyl) 2,6-difluoro-4-(oxan-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)CCNC(=O)NNC(=O)C(C)(C)C

DOS

IR

Vibrations