Geometry & MOs

Info

ID:	222618
PubChem CID:	85305631
Reduced:	N2F3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	382.16142
ΔH_f, kcal/mol:	-227.04
Dipole, Da:	22.68
IP(EA), eV:	-8.97(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-(pyridin-4-ylmethylideneamino)-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)[NH3+].C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations