Geometry & MOs

Info

ID:	413674
PubChem CID:	135086623
Reduced:	OCl3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	323.136887
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	2.71
IP(EA), eV:	-10.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate

Drug info:

PubChemData

Smile

C=CCCCCCCCCC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations