Geometry & MOs

Info

ID:	131699
PubChem CID:	51247938
Reduced:	ClO2N4C17H17 (1)
Stoich.:	AB2C4D17E17 (1)
Weight, g/mol:	354.144038
ΔH_f, kcal/mol:	-7.31
Dipole, Da:	2.62
IP(EA), eV:	-9.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-5-nitro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)C(C)OC3=CC(=CC=C3)Cl

DOS

IR

Vibrations