Geometry & MOs

Info

ID:	151025
PubChem CID:	53790722
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	390.121848
ΔH_f, kcal/mol:	-45.36
Dipole, Da:	4.1
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1,3-difluoro-5-pent-1-enylbenzene

Drug info:

PubChemData

Smile

CC(C[N+](=O)[O-])C1=CC=C(C=C1)O

DOS

IR

Vibrations