Geometry & MOs

Info

ID:	439076
PubChem CID:	135228839
Reduced:	NO3C26H27 (1)
Stoich.:	AB3C26D27 (1)
Weight, g/mol:	329.251878
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	9.82
IP(EA), eV:	-8.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[3-fluoro-2-[4-(4-methylcyclohexyl)butan-2-yl]phenyl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=C)O)OC)C4=CC=CC=C4

DOS

IR

Vibrations