Geometry & MOs

Info

ID:	162192
PubChem CID:	57393898
Reduced:	NS2O3C16H29 (1)
Stoich.:	AB2C3D16E29 (1)
Weight, g/mol:	423.176976
ΔH_f, kcal/mol:	-147.42
Dipole, Da:	3.73
IP(EA), eV:	-8.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[3-(trifluoromethoxy)phenyl]-7-azaspiro[3.5]nonane-7-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C=NCC(=O)OCC)SSC(CC)(CC)C=O

DOS

IR

Vibrations