Geometry & MOs

Info

ID:	343556
PubChem CID:	127266729
Reduced:	O2N7C14H19 (1)
Stoich.:	A2B7C14D19 (1)
Weight, g/mol:	345.130026
ΔH_f, kcal/mol:	64.12
Dipole, Da:	5.27
IP(EA), eV:	-8.97(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-(methylcarbamoyl)cyclopentyl]amino]-6-(trifluoromethyl)pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)N2CCC(CC2)C3=NN(C(=N3)N)C)[N+](=O)[O-]

DOS

IR

Vibrations