Geometry & MOs

Info

ID:	439120
PubChem CID:	135228884
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	375.2926
ΔH_f, kcal/mol:	37.65
Dipole, Da:	3.86
IP(EA), eV:	-9.44(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[2-[4-[3-(2,2-dimethylpropyl)phenyl]pentan-2-yl]phenyl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

C1C2C3=CC=CC=C3C(N2C=N1)CC(C4=CC=NC=C4)O

DOS

IR

Vibrations