Geometry & MOs

Info

ID:	258512
PubChem CID:	103154621
Reduced:	ClN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	276.069927
ΔH_f, kcal/mol:	-121.55
Dipole, Da:	5.17
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=C(C=C2C(=C1)CC(=O)N2)Cl)CN

DOS

IR

Vibrations