Geometry & MOs

Info

ID:	399541
PubChem CID:	135040842
Reduced:	BO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-322.53
Dipole, Da:	0.67
IP(EA), eV:	-9.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-amino-4-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C(=O)OCC)C(=O)OCC)/C(=C/C)/C

DOS

IR

Vibrations