Geometry & MOs

Info

ID:	27526
PubChem CID:	821851
Reduced:	O3N5H13C14 (1)
Stoich.:	A3B5C13D14 (1)
Weight, g/mol:	304.107259
ΔH_f, kcal/mol:	7.59
Dipole, Da:	5.56
IP(EA), eV:	-8.22(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylquinolin-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)C2=NN3C=CC=NC3=N2

DOS

IR

Vibrations