Geometry & MOs

Info

ID:	178871
PubChem CID:	76394512
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-167.19
Dipole, Da:	2.22
IP(EA), eV:	-8.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-4-(2-nitrophenyl)-2-oxobut-3-enamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(=O)C=CC1=C(C(=C(C=C1)OC)OC)OC

DOS

IR

Vibrations