Geometry & MOs

Info

ID:	120905
PubChem CID:	50749920
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	36.55
Dipole, Da:	8.16
IP(EA), eV:	-8.8(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=C(C(=NC3=N2)C)CC(=O)N4CCCC4)C

DOS

IR

Vibrations