Geometry & MOs

Info

ID:	323954
PubChem CID:	126676667
Reduced:	F3N3O4C24H40 (1)
Stoich.:	A3B3C4D24E40 (1)
Weight, g/mol:	489.317827
ΔH_f, kcal/mol:	-383.52
Dipole, Da:	2.87
IP(EA), eV:	-8.95(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[2-methyl-5-(trifluoromethyl)cyclohexyl]methoxy]cyclohexyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CCC1COC2CCC(CC2)C3NCC4CN(CCC4N3)CCC(=O)O)OC(F)(F)F

DOS

IR

Vibrations