Geometry & MOs

Info

ID:	80609
PubChem CID:	49835489
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	15.75
Dipole, Da:	3.75
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-adamantyloxycarbonyl)-4-(2-methylphenyl)piperidin-4-yl]acetic acid

Drug info:

PubChemData

Smile

COCC1=C(C=NN1CC2CCCCC2)C3=NC(=NO3)C4=CC5=C(CNCC5)C=C4

DOS

IR

Vibrations