Geometry & MOs

Info

ID:	401076
PubChem CID:	135050008
Reduced:	NO9H25C30 (1)
Stoich.:	AB9C25D30 (1)
Weight, g/mol:	332.225249
ΔH_f, kcal/mol:	-267.43
Dipole, Da:	2.48
IP(EA), eV:	-10.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-2-methyl-N'-(4-methylphenyl)-3-phenylpropane-1,3-diimine

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)C#N

DOS

IR

Vibrations