Geometry & MOs

Info

ID:	26284
PubChem CID:	643560
Reduced:	O4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-93.53
Dipole, Da:	5.12
IP(EA), eV:	-8.61(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-oxo-4-(3-oxopropylamino)butyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)OC)C(=COC2=O)C3=CC=CC=C3

DOS

IR

Vibrations