Geometry & MOs

Info

ID:	56238
PubChem CID:	17422760
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	57.38
Dipole, Da:	2.16
IP(EA), eV:	-8.97(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butylphenyl)-N-cyclopropyl-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations