Geometry & MOs

Info

ID:	14013
PubChem CID:	401499
Reduced:	BrON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	317.01637
ΔH_f, kcal/mol:	41.31
Dipole, Da:	5.01
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzylideneamino)-3-(4-bromophenyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NNC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations