Geometry & MOs

Info

ID:	285164
PubChem CID:	104098438
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	-6.18
Dipole, Da:	6.78
IP(EA), eV:	-9.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[2-(triazol-1-yl)ethylamino]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C)NCC1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations