Geometry & MOs

Info

ID:	272905
PubChem CID:	103764855
Reduced:	BrClNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-37.81
Dipole, Da:	2.35
IP(EA), eV:	-9.07(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-acetylphenyl)-3-[(1-ethylcyclopentyl)methyl]urea

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)NC(=O)C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations