Geometry & MOs

Info

ID:	164074
PubChem CID:	74381768
Reduced:	N2O3C23H32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	448.079299
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	5.62
IP(EA), eV:	-8.35(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-chloro-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-3-methylpentan-1-ol

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)N)C(=O)OCC(CC2=CC=CC=C2)N(CC)CC

DOS

IR

Vibrations