Geometry & MOs

Info

ID:	289058
PubChem CID:	104333022
Reduced:	ClOF2N2C14H17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	283.099063
ΔH_f, kcal/mol:	-137.41
Dipole, Da:	4.16
IP(EA), eV:	-9.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylpiperidin-3-yl)methyl]-5-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCNC1)CNC(=O)C2=CC(=C(C=C2F)Cl)F

DOS

IR

Vibrations