Geometry & MOs

Info

ID:	232704
PubChem CID:	87576759
Reduced:	BrNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	555.175464
ΔH_f, kcal/mol:	-52.54
Dipole, Da:	3.35
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C(C(=C(N=C1C)Br)CO)C

DOS

IR

Vibrations