Geometry & MOs

Info

ID:	135343
PubChem CID:	51854393
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	409.141786
ΔH_f, kcal/mol:	30.88
Dipole, Da:	5.33
IP(EA), eV:	-8.75(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-[(2S)-2-methyl-3-(5-methylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CCNC(=O)C1=CC(=NC2=C1C(=NN2C)C)C3=CC=C(C=C3)OC)N4C=CC=N4

DOS

IR

Vibrations