Geometry & MOs

Info

ID:	435736
PubChem CID:	135192275
Reduced:	SC27H48 (1)
Stoich.:	AB27C48 (1)
Weight, g/mol:	178.031606
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	3.54
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-3,4-dimethylhexa-1,5-diene

Drug info:

PubChemData

Smile

CCC(C)(C)C(=C)C(C)C(C)C(=S)C(C)CC(C)C(=C)C(C)(C)CC(C)C=C

DOS

IR

Vibrations