Geometry & MOs

Info

ID:	439089
PubChem CID:	135228852
Reduced:	O2N3C31H39 (1)
Stoich.:	A2B3C31D39 (1)
Weight, g/mol:	311.2613
ΔH_f, kcal/mol:	-25.44
Dipole, Da:	11.86
IP(EA), eV:	-8.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[2-(4-cyclohexylpentan-2-yl)phenyl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=O)O)C(C)(C)C)/C(=C/C=C(\N)/NC4CCC4)/C=C

DOS

IR

Vibrations