Geometry & MOs

Info

ID:	258698
PubChem CID:	103156454
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-197.08
Dipole, Da:	3.97
IP(EA), eV:	-9.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(4-amino-3-methoxybutanoyl)amino]methyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)O)NC(=O)CC(CN)OC

DOS

IR

Vibrations