Geometry & MOs

Info

ID:	396935
PubChem CID:	135029482
Reduced:	NOSC18H19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	24.49
Dipole, Da:	1.21
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azido-3,3,4-trimethyl-1-phenylpentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC/C(=C(/C2=CC=CC=C2)\C3=CC=CS3)/O1

DOS

IR

Vibrations