Geometry & MOs

Info

ID:	159367
PubChem CID:	57269713
Reduced:	NO2H23C33 (1)
Stoich.:	AB2C23D33 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	90.8
Dipole, Da:	7.54
IP(EA), eV:	-8.34(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butan-2-ylamino)-1-(4-methylthiophen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CN3C(=CC2=C4C=CC(=O)C=C4)C(=C(C3=O)C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations