Geometry & MOs

Info

ID:	149392
PubChem CID:	53789064
Reduced:	N3O6C11H13 (1)
Stoich.:	A3B6C11D13 (1)
Weight, g/mol:	389.251878
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	3.18
IP(EA), eV:	-9.33(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]phenyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations