Geometry & MOs

Info

ID:	406844
PubChem CID:	135078771
Reduced:	IO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	373.108086
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	1.03
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[2-[(4-chlorophenyl)methyl-methylamino]phenyl]methylidene]propanedioate

Drug info:

PubChemData

Smile

C/C(=C\OC)/C1CC1C2=C(C=C(C=C2)OC)CC/C=C\CCI

DOS

IR

Vibrations