Geometry & MOs

Info

ID:	419982
PubChem CID:	135110506
Reduced:	ON4C22H30 (1)
Stoich.:	AB4C22D30 (1)
Weight, g/mol:	323.108835
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	4.95
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-fluorophenyl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2(CCN(CC2)CC3=CN=C(N=C3)C4CCCCC4)O

DOS

IR

Vibrations