Geometry & MOs

Info

ID:	336939
PubChem CID:	127255946
Reduced:	ClNO2C20H26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	333.149557
ΔH_f, kcal/mol:	-104.96
Dipole, Da:	3.63
IP(EA), eV:	-9.05(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)C[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl

DOS

IR

Vibrations