Geometry & MOs

Info

ID:	320490
PubChem CID:	126661372
Reduced:	ClN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	294.209599
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	5.42
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3Z)-3-[[(3E,5Z)-3-methylhepta-3,5-dien-2-ylidene]amino]penta-1,3-dien-2-yl]aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C3C(=CC(=C2)Cl)C=C4N3CCNC4O

DOS

IR

Vibrations