Geometry & MOs

Info

ID:	413312
PubChem CID:	135086260
Reduced:	NC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	362.069494
ΔH_f, kcal/mol:	21.4
Dipole, Da:	2.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.117273
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl-(3,4-difluorophenoxy)phosphoryl]oxy-1,2-difluorobenzene

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=[NH+]C=CC3=CC=CC=C32

DOS

IR

Vibrations