Geometry & MOs

Info

ID:	303303
PubChem CID:	124489484
Reduced:	Br2O2N3C9H9 (1)
Stoich.:	A2B2C3D9E9 (1)
Weight, g/mol:	277.121512
ΔH_f, kcal/mol:	-19.58
Dipole, Da:	4.33
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-(10-methylanthracen-9-yl)methylideneamino]urea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)/C=N\NC(=O)N)Br

DOS

IR

Vibrations