Geometry & MOs

Info

ID:	151087
PubChem CID:	53790785
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	258.09831
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	4.28
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-ethyl-4,7-dimethylnona-2,6-diene

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2CSC34C2C=CN=C3CCC(=O)C4

DOS

IR

Vibrations