Geometry & MOs

Info

ID:	226757
PubChem CID:	87558140
Reduced:	SN2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	231.97351
ΔH_f, kcal/mol:	32.15
Dipole, Da:	6.72
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-6-bromo-4-(hydroxymethylidene)-6-methoxycyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCCC1=CN(C(=N1)SSC2=NC(=CN2C)CCC)C

DOS

IR

Vibrations