Geometry & MOs

Info

ID:	228782
PubChem CID:	87565767
Reduced:	BrNO2H16C18 (2)
Stoich.:	ABC2D16E18 (2)
Weight, g/mol:	170.02652
ΔH_f, kcal/mol:	-116.72
Dipole, Da:	0.6
IP(EA), eV:	-9.41(-2.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dichloroethane;2,2-dimethyloxirane

Drug info:

PubChemData

Smile

CCCC(CC)N1C(=O)C2=C3C(=CC(=C4C3=C(C=C2)C5=C(C=C6C7=C(C=CC4=C57)C(=O)N(C6=O)C(CC)CCC)Br)Br)C1=O

DOS

IR

Vibrations