Geometry & MOs

Info

ID:	122259
PubChem CID:	50800347
Reduced:	O3N5C21H23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	6.59
Dipole, Da:	5.37
IP(EA), eV:	-8.59(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-5,6-dimethyl-N-(4-morpholin-4-ylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC2=C(C(=NC3=NC(=NN23)C4=CC=CO4)C)C

DOS

IR

Vibrations