Geometry & MOs

Info

ID:	323752
PubChem CID:	126675996
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	455.29147
ΔH_f, kcal/mol:	-3.53
Dipole, Da:	4.67
IP(EA), eV:	-8.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(4-chlorocyclohexyl)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

CCC1=CN(C(=C=O)C(=C1)C=O)CC2=CC=CC(=C2)C

DOS

IR

Vibrations