Geometry & MOs

Info

ID:	321496
PubChem CID:	126666380
Reduced:	FNC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	328.120563
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	2.55
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3E,5Z)-5-ethylhepta-1,3,5-trien-4-yl]-1-(3,3,3-trifluoropropyl)benzene

Drug info:

PubChemData

Smile

CC1(CC(=CN=C1)F)[C@H]2C[C@@H](CN2)F

DOS

IR

Vibrations