Geometry & MOs

Info

ID:	162804
PubChem CID:	57570953
Reduced:	N2S2O3C15H26 (1)
Stoich.:	A2B2C3D15E26 (1)
Weight, g/mol:	326.184172
ΔH_f, kcal/mol:	-123.51
Dipole, Da:	2.21
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2,6-bis(hydroxymethyl)pyridin-4-yl]oxybutyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CN(C)CCOC1=CC(=NC(=C1)CO)CO)SSC

DOS

IR

Vibrations