Geometry & MOs

Info

ID:	142495
PubChem CID:	53044133
Reduced:	O2N4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	330.159295
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	2.25
IP(EA), eV:	-8.58(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCC(C(=O)NC(C)C12CC3CC(C1)CC(C3)C2)N4C5=CC=CC=C5C6=C4C(=O)N(N=C6)C

DOS

IR

Vibrations