Geometry & MOs

Info

ID:	290227
PubChem CID:	104421012
Reduced:	ON3C5H9 (2)
Stoich.:	AB3C5D9 (2)
Weight, g/mol:	229.179027
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	4.87
IP(EA), eV:	-9.82(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCNC(=O)CCNC(=O)C1=CN(N=N1)CCN

DOS

IR

Vibrations