Geometry & MOs

Info

ID:	74074
PubChem CID:	48421424
Reduced:	BrN3O3H12C14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	374.0266
ΔH_f, kcal/mol:	19.89
Dipole, Da:	4.34
IP(EA), eV:	-9.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-3-[1-(4-bromophenyl)cyclopropyl]urea

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)Br)NC(=O)C3=CC(=CN3)[N+](=O)[O-]

DOS

IR

Vibrations