Geometry & MOs

Info

ID:	172550
PubChem CID:	75524303
Reduced:	O2N5C25H25 (1)
Stoich.:	A2B5C25D25 (1)
Weight, g/mol:	445.227789
ΔH_f, kcal/mol:	46.94
Dipole, Da:	2.99
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-fluoro-5-methylphenyl)-N-[1-(4-methylphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=NC=C1)NCC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations