Geometry & MOs

Info

ID:	278038
PubChem CID:	103832899
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	245.173942
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	2.81
IP(EA), eV:	-8.36(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

COCCOCCCNC(=O)CC1=CC=CC=C1N

DOS

IR

Vibrations