Geometry & MOs

Info

ID:	185316
PubChem CID:	77285087
Reduced:	ClFO4N5C28H33 (1)
Stoich.:	ABC4D5E28F33 (1)
Weight, g/mol:	462.213027
ΔH_f, kcal/mol:	-130.03
Dipole, Da:	1.61
IP(EA), eV:	-8.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[3-[5-(trifluoromethyl)pyridin-2-yl]phenyl]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)N2CCC(=CC2)C3=COC4=C(C(=NC=C34)N)OC(C)C5=C(C=CC(=C5Cl)F)OC

DOS

IR

Vibrations