Geometry & MOs

Info

ID:	178870
PubChem CID:	76393774
Reduced:	O5C21H24 (1)
Stoich.:	A5B21C24 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-153.77
Dipole, Da:	2.36
IP(EA), eV:	-8.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-oxo-4-(2,3,4-trimethoxyphenyl)but-3-enamide

Drug info:

PubChemData

Smile

CCOCC=CC1=CC2=C(C=C1)OC(C2CO)C3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations