Geometry & MOs

Info

ID:	345707
PubChem CID:	127270007
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	6.79
Dipole, Da:	1.76
IP(EA), eV:	-8.53(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CC2)C(=O)NC3=CC=C(C=C3)C4=NNC(=N4)C5CC5

DOS

IR

Vibrations