Geometry & MOs

Info

ID:	45422
PubChem CID:	10513054
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	219.147058
ΔH_f, kcal/mol:	-35.02
Dipole, Da:	8.68
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-1,4-dihydroxy-3-methylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(N=N2)C(=O)O

DOS

IR

Vibrations