Geometry & MOs

Info

ID:	203877
PubChem CID:	79886830
Reduced:	OF2N2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	277.058421
ΔH_f, kcal/mol:	-94.69
Dipole, Da:	3.14
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxothiolan-3-yl)oxy-3,5-difluorophenyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(CCOC1=C(C=C(C=C1F)CN)F)C#N

DOS

IR

Vibrations