Geometry & MOs

Info

ID:	336115
PubChem CID:	127255122
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	312.085855
ΔH_f, kcal/mol:	-48.93
Dipole, Da:	6.52
IP(EA), eV:	-8.53(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-4-oxo-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCCC(C2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations