Geometry & MOs

Info

ID:	8300
PubChem CID:	76110
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	74.44
Dipole, Da:	1.55
IP(EA), eV:	-8.91(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-(7-nitrotriazolo[4,5-c]pyridin-1-yl)ethanamine

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=C(C=NC=C2N=N1)[N+](=O)[O-]

DOS

IR

Vibrations