Geometry & MOs

Info

ID:	159827
PubChem CID:	57288794
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-102.8
Dipole, Da:	4.69
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(1R)-1-hydroxyethyl]-5-phenylpentanoate

Drug info:

PubChemData

Smile

CCCC1=C(C(=CC(=C1)CC)[C@H](C(=O)O)NC2=CC=C(C=C2)C(=N)N)OC3CCCC3

DOS

IR

Vibrations