Geometry & MOs

Info

ID:	56432
PubChem CID:	17425435
Reduced:	F2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-185.87
Dipole, Da:	6.82
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)N2CCOCC2)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations