Geometry & MOs

Info

ID:	304065
PubChem CID:	124492047
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-110.04
Dipole, Da:	3.89
IP(EA), eV:	-8.64(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R)-2-(aminomethyl)-3-anilino-3-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CN)C(C)(C)N1CCCC1

DOS

IR

Vibrations