Geometry & MOs

Info

ID:	204104
PubChem CID:	79913069
Reduced:	BrOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	11.19
Dipole, Da:	3.09
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC(C2=CC=CC=C2)N(C)C)Br

DOS

IR

Vibrations