Geometry & MOs

Info

ID:	323753
PubChem CID:	126675999
Reduced:	ClN3O3C24H42 (1)
Stoich.:	AB3C3D24E42 (1)
Weight, g/mol:	457.311599
ΔH_f, kcal/mol:	-194.66
Dipole, Da:	2.23
IP(EA), eV:	-8.88(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1CCC2C(C1)CNC(N2)C3CCC(CC3)OCC4CCC(CC4)Cl)C(=O)O

DOS

IR

Vibrations