Geometry & MOs

Info

ID:	145413
PubChem CID:	53520558
Reduced:	BrON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	314.121962
ΔH_f, kcal/mol:	15.69
Dipole, Da:	3.24
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chlorothiophen-2-yl)-N-(1-propan-2-ylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)CC2=CN3C=C(C=CC3=N2)Br

DOS

IR

Vibrations