Geometry & MOs

Info

ID:	120908
PubChem CID:	50749992
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	457.247775
ΔH_f, kcal/mol:	22.34
Dipole, Da:	8.04
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C3=CC=C(C=C3)C(C)(C)C)C)CC(=O)N4CCCC4

DOS

IR

Vibrations