Geometry & MOs

Info

ID:	262799
PubChem CID:	103318316
Reduced:	N5C16H25 (1)
Stoich.:	A5B16C25 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	41.03
Dipole, Da:	5.99
IP(EA), eV:	-8.63(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-(4-propan-2-yloxyphenyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CNC1=NC2=NCCC(N2N1)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations