Geometry & MOs

Info

ID:	287881
PubChem CID:	104297357
Reduced:	BrNOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	335.08848
ΔH_f, kcal/mol:	-9.95
Dipole, Da:	4.28
IP(EA), eV:	-9.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-azaspiro[4.5]decan-8-yl-(4-bromo-3-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC3=C2C=CS3)Br

DOS

IR

Vibrations