Geometry & MOs

Info

ID:	73703
PubChem CID:	48420047
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	8.92
IP(EA), eV:	-9.45(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclohexen-1-yl)ethyl]-3-(1,3-dioxoisoindol-5-yl)urea

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)NC2=CC3=C(C=C2)C(=O)NC3=O

DOS

IR

Vibrations