Geometry & MOs

Info

ID:	323948
PubChem CID:	126676657
Reduced:	ON8H18C20 (1)
Stoich.:	AB8C18D20 (1)
Weight, g/mol:	463.377392
ΔH_f, kcal/mol:	139.18
Dipole, Da:	5.32
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-tert-butylcyclohexyl)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

COC1=NC=CC2=C1C=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC5=NNN=C45)N

DOS

IR

Vibrations