Geometry & MOs

Info

ID:	439024
PubChem CID:	135228787
Reduced:	FN4C29H35 (1)
Stoich.:	AB4C29D35 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	34.83
Dipole, Da:	6.17
IP(EA), eV:	-7.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-hydroxy-3-[2-[(E)-2-(methylideneamino)ethenyl]phenyl]propyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(CC(N3C2=CC(=C)C(=C3)C(=C)C#N)C(C)(C)C)C=C1/C(=C/N)/C=NCC(C)(C)F

DOS

IR

Vibrations