Geometry & MOs

Info

ID:	258700
PubChem CID:	103156469
Reduced:	N2O2C13H28 (1)
Stoich.:	A2B2C13D28 (1)
Weight, g/mol:	228.111007
ΔH_f, kcal/mol:	-132.31
Dipole, Da:	3.78
IP(EA), eV:	-9.5(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)amino]pent-4-ynoic acid

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)CC(CN)OC

DOS

IR

Vibrations