Geometry & MOs

Info

ID:	126438
PubChem CID:	50965023
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	308.174945
ΔH_f, kcal/mol:	-121.52
Dipole, Da:	4.77
IP(EA), eV:	-8.84(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(2-methylpropyl)-6-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CN(C)CCN1CC(CC1=O)C(=O)N2CCC(CC2)C3=CC(=CC=C3)O

DOS

IR

Vibrations