Geometry & MOs

Info

ID:	336940
PubChem CID:	127255947
Reduced:	ClNO2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	1.63
IP(EA), eV:	-9.19(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations