Geometry & MOs

Info

ID:	439067
PubChem CID:	135228830
Reduced:	PN2O2C18H27 (1)
Stoich.:	AB2C2D18E27 (1)
Weight, g/mol:	345.222328
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	1.67
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=N/C=C/C1=C(C(=CC=C1)P)CC[C@H](C2(CCC(CC2)O)N)O

DOS

IR

Vibrations