Geometry & MOs

Info

ID:	441462
PubChem CID:	135235055
Reduced:	NO2F4C33H33 (1)
Stoich.:	AB2C4D33E33 (1)
Weight, g/mol:	387.088241
ΔH_f, kcal/mol:	-164.75
Dipole, Da:	6.19
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-cyano-3,5-difluorophenyl)-3,5-difluorocyclohepta-1,3-dien-1-yl]phenyl] formate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=C(C=C2)OCCCCCCCCCOC3=CC(=C(C=C3)C4=CC=C(C=C4)F)F)F)NF

DOS

IR

Vibrations