Geometry & MOs

Info

ID:	169064
PubChem CID:	75059468
Reduced:	SN4O6C23H36 (1)
Stoich.:	AB4C6D23E36 (1)
Weight, g/mol:	252.281701
ΔH_f, kcal/mol:	-146.11
Dipole, Da:	13.87
IP(EA), eV:	-8.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethylhept-3-ene

Drug info:

PubChemData

Smile

CSCCC(C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

DOS

IR

Vibrations