Geometry & MOs

Info

ID:	258448
PubChem CID:	103154092
Reduced:	ClSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-44.7
Dipole, Da:	4.85
IP(EA), eV:	-9.15(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NC1=NC2=C(S1)C=C(C=C2)Cl)CN

DOS

IR

Vibrations