Geometry & MOs

Info

ID:	318963
PubChem CID:	126653951
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	318.215907
ΔH_f, kcal/mol:	-51.64
Dipole, Da:	2.82
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2Z,4E)-1-(4-ethylcyclohexyl)hepta-2,4-dien-4-yl]-1,2-difluorobenzene

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations