Geometry & MOs

Info

ID:	415849
PubChem CID:	135088851
Reduced:	O3N4C24H34 (1)
Stoich.:	A3B4C24D34 (1)
Weight, g/mol:	353.160263
ΔH_f, kcal/mol:	-65.81
Dipole, Da:	3.11
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)C2=C(ON=C2N3CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations