Geometry & MOs

Info

ID:	203876
PubChem CID:	79886829
Reduced:	NF2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	254.123069
ΔH_f, kcal/mol:	-173.13
Dipole, Da:	1.14
IP(EA), eV:	-9.05(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(aminomethyl)-2,6-difluorophenoxy]-2,2-dimethylbutanenitrile

Drug info:

PubChemData

Smile

C1CCC(CC1)(COC2=C(C=C(C=C2F)CN)F)O

DOS

IR

Vibrations