Geometry & MOs

Info

ID:	439080
PubChem CID:	135228843
Reduced:	NC31H37 (1)
Stoich.:	AB31C37 (1)
Weight, g/mol:	313.27695
ΔH_f, kcal/mol:	38.07
Dipole, Da:	5.3
IP(EA), eV:	-7.35(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[6-(4-cyclohexylbutan-2-yl)-3-methylcyclohexa-1,5-dien-1-yl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=C(C=C3C(=C2)CC(N4C3=CC(=C)C(=C4)C(=C)C)C(C)(C)C)CC

DOS

IR

Vibrations