Geometry & MOs

Info

ID:	120888
PubChem CID:	50748869
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	409.110566
ΔH_f, kcal/mol:	46.28
Dipole, Da:	3.93
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NCC2=NC3=NC4=C(CCC4)C(=O)N3N2

DOS

IR

Vibrations