Geometry & MOs

Info

ID:	27528
PubChem CID:	821854
Reduced:	N5H11C12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	279.11201
ΔH_f, kcal/mol:	103.8
Dipole, Da:	6.68
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC2=NNC(=C12)N)C3=CC=CC=C3

DOS

IR

Vibrations