Geometry & MOs

Info

ID:	120909
PubChem CID:	50749993
Reduced:	O2N5C27H31 (1)
Stoich.:	A2B5C27D31 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	5.12
Dipole, Da:	3.9
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,7-dimethyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2=C(N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)N=C2C)C

DOS

IR

Vibrations