Geometry & MOs

Info

ID:	142228
PubChem CID:	53003223
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	38.4
Dipole, Da:	5.03
IP(EA), eV:	-8.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-[(2-methylpiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CC2=CC(=O)N3C(=N2)N=C(N3)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations