Geometry & MOs

Info

ID:	284580
PubChem CID:	104053944
Reduced:	OSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	358.06991
ΔH_f, kcal/mol:	13.7
Dipole, Da:	2.21
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5-bromo-2-methoxy-3,6-dimethylphenyl)-chloromethyl]cycloheptane

Drug info:

PubChemData

Smile

CCC1=NN(C=C1C(C2=CN=C(S2)N)O)C

DOS

IR

Vibrations