Geometry & MOs

Info

ID:	425792
PubChem CID:	135128041
Reduced:	ClO2N4H21C28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	439.0797
ΔH_f, kcal/mol:	66.22
Dipole, Da:	5.28
IP(EA), eV:	-9.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexa-1,3-dien-1-yl-N-[2-(1-iodoethenyl)-4-(4-methylphenyl)phenyl]ethanimine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CCC3=C(C=C2)N=C(N=C3NC(=O)C4=CC(=CC=C4)Cl)C5=CN=CC=C5

DOS

IR

Vibrations