Geometry & MOs

Info

ID:	367531
PubChem CID:	127324891
Reduced:	S2N3O4C11H17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-128.79
Dipole, Da:	9.36
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-bis(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

COCC1=CSC(=N1)NC(=O)CCN2CCCS2(=O)=O

DOS

IR

Vibrations