Geometry & MOs

Info

ID:	258494
PubChem CID:	103154486
Reduced:	ClN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-162.66
Dipole, Da:	5.98
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-methoxyphenyl)-4-amino-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=CC(=C(C=C1)Cl)C(=O)OC)CN

DOS

IR

Vibrations