Geometry & MOs

Info

ID:	343214
PubChem CID:	127266387
Reduced:	O2F4N5H11C12 (1)
Stoich.:	A2B4C5D11E12 (1)
Weight, g/mol:	276.08116
ΔH_f, kcal/mol:	-204.35
Dipole, Da:	3.04
IP(EA), eV:	-9.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride

Drug info:

PubChemData

Smile

CCN1C(=O)N(C=N1)NC(=O)NC2=C(C=C(C=C2)F)C(F)(F)F

DOS

IR

Vibrations