Geometry & MOs

Info

ID:	410987
PubChem CID:	135083791
Reduced:	SN3O3C7H9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-78.25
Dipole, Da:	8.62
IP(EA), eV:	-9.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[methoxy(methyl)amino] (E)-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

COC(=O)/C(=C(\NC(=O)N)/SC)/C#N

DOS

IR

Vibrations