Geometry & MOs

Info

ID:	225040
PubChem CID:	85735824
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	1.88
IP(EA), eV:	-9.54(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(3-oxohex-5-enyl)carbamate

Drug info:

PubChemData

Smile

C1COC(O1)CCC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations