Geometry & MOs

Info

ID:	309739
PubChem CID:	126556834
Reduced:	BrN2C9H11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	537.959107
ΔH_f, kcal/mol:	38.95
Dipole, Da:	4.43
IP(EA), eV:	-8.63(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC(=C)NC1=CC(=CN=C1)Br

DOS

IR

Vibrations