Geometry & MOs

Info

ID:	435589
PubChem CID:	135191872
Reduced:	ClN2O5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-93.79
Dipole, Da:	1.56
IP(EA), eV:	-9.5(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-methylimino-5-(4-methylphenyl)-2-propan-2-ylpent-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1Cl)N=O)C/C=C(\C)/CCCCOC(=O)C(C)(C)C)N=O)C=O

DOS

IR

Vibrations