Geometry & MOs

Info

ID:	132349
PubChem CID:	51347083
Reduced:	NOC22H23 (2)
Stoich.:	ABC22D23 (2)
Weight, g/mol:	283.123324
ΔH_f, kcal/mol:	10.78
Dipole, Da:	8.38
IP(EA), eV:	-7.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1(C2=CC3=CC=CC=C3C4=C2[N+](=C1/C=C/C=C/C=C\5/C(C6=CC7=CC=CC=C7C8=C6N5CCC8)(C)CCCCCC(=O)[O-])CCC4)C

DOS

IR

Vibrations