Geometry & MOs

Info

ID:	200913
PubChem CID:	79460611
Reduced:	BrClN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	58.27
Dipole, Da:	4.98
IP(EA), eV:	-9.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-aminocyclopentyl)amino]phenyl]urea

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Cl)CC2(CNC2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations