Geometry & MOs

Info

ID:	264087
PubChem CID:	103427200
Reduced:	ON2S2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	282.140199
ΔH_f, kcal/mol:	28.12
Dipole, Da:	5.83
IP(EA), eV:	-8.28(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-5-(cyclopentylmethylamino)-4-methoxythiophen-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC1C(=O)C2=C(C=C(S2)NCC3=CC=CS3)N

DOS

IR

Vibrations