Geometry & MOs

Info

ID:	214057
PubChem CID:	81066127
Reduced:	NO3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	301.200156
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	2.36
IP(EA), eV:	-9.87(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[3-(butan-2-ylamino)-3-oxopropyl]carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCC(=O)NCC(CC)CC(=O)O

DOS

IR

Vibrations