Geometry & MOs

Info

ID:	298636
PubChem CID:	117653084
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	593.9353
ΔH_f, kcal/mol:	36.39
Dipole, Da:	4.2
IP(EA), eV:	-9.58(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-bis(1-bromoheptyl)benzene;dihydrobromide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC=C(C=C1)N2C3=C(C=C(C=N3)C)N=N2

DOS

IR

Vibrations