Geometry & MOs

Info

ID:	390570
PubChem CID:	134999758
Reduced:	ClO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	381.266779
ΔH_f, kcal/mol:	-224.06
Dipole, Da:	2.54
IP(EA), eV:	-10.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[benzyl-[(1R)-1-phenylethyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C)CC(=O)C1=CC=C(C=C1)Cl)C(=O)OCC

DOS

IR

Vibrations