Geometry & MOs

Info

ID:	323953
PubChem CID:	126676664
Reduced:	ClN2O3C24H25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	491.297091
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	5.86
IP(EA), eV:	-7.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[4-(trifluoromethoxy)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

C1CN(CC2=C1C=C(NC2)C3=CC=C(C=C3)OCC4=CC(=CC=C4)Cl)CCC(=O)O

DOS

IR

Vibrations