Geometry & MOs

Info

ID:	447864
PubChem CID:	135286425
Reduced:	FOSN3C11H16 (1)
Stoich.:	ABCD3E11F16 (1)
Weight, g/mol:	374.167808
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	3.79
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[carbamimidoyl-[5-[4-(dimethylamino)piperidin-1-yl]pyridin-2-yl]amino] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N(C)C)C(=O)/C(=C\N(C)C)/F

DOS

IR

Vibrations