Geometry & MOs

Info

ID:	56892
PubChem CID:	22394753
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-112.11
Dipole, Da:	4.75
IP(EA), eV:	-8.55(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-hydroxy-5-methyl-1-oxohexan-2-yl)carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC(CO)N)O

DOS

IR

Vibrations