Geometry & MOs

Info

ID:	402418
PubChem CID:	135055903
Reduced:	NO2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	6.15
IP(EA), eV:	-9.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C[C@H]([C@H](CC1=CC=CC=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C

DOS

IR

Vibrations