Geometry & MOs

Info

ID:	258697
PubChem CID:	103156453
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	282.121572
ΔH_f, kcal/mol:	-193.0
Dipole, Da:	2.54
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-3-methoxybutanoyl)amino]-4-methoxybenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations