Geometry & MOs

Info

ID:	379638
PubChem CID:	134452853
Reduced:	NO6C12H23 (1)
Stoich.:	AB6C12D23 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-291.86
Dipole, Da:	4.31
IP(EA), eV:	-9.78(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(4-hydroxybutyl)-N-(2-oxopropyl)carbamate

Drug info:

PubChemData

Smile

CC[C@H]([C@H]([C@@H]([C@H](CNC(=O)C[C@H](C)C=O)O)O)O)O

DOS

IR

Vibrations