Geometry & MOs

Info

ID:	336937
PubChem CID:	127255944
Reduced:	NO10C14H25 (1)
Stoich.:	AB10C14D25 (1)
Weight, g/mol:	347.165207
ΔH_f, kcal/mol:	-460.27
Dipole, Da:	4.49
IP(EA), eV:	-9.81(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H](C[C@H]([C@@H]2O1)OCCO)N)C.C(C(C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations