Geometry & MOs

Info

ID:	311881
PubChem CID:	126598704
Reduced:	N3C16H31 (1)
Stoich.:	A3B16C31 (1)
Weight, g/mol:	312.072177
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	1.99
IP(EA), eV:	-8.53(2.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)CC2CCN(C2)CN3CCCCC3

DOS

IR

Vibrations