Geometry & MOs

Info

ID:	172988
PubChem CID:	75579333
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	397.98162
ΔH_f, kcal/mol:	-159.67
Dipole, Da:	6.32
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(2-bromophenyl)butane-2,3-diamine

Drug info:

PubChemData

Smile

COC1=CN=C(C=C1)C2C(CC(N2)(CC3=CC=CC=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations