Geometry & MOs

Info

ID:	304040
PubChem CID:	124491638
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	3.56
IP(EA), eV:	-9.52(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations