Geometry & MOs

Info

ID:	183830
PubChem CID:	77075702
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	17.82
Dipole, Da:	6.77
IP(EA), eV:	-9.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-ethoxyphenoxy)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C=CC(=O)NCC2=CN=CN2

DOS

IR

Vibrations