Geometry & MOs

Info

ID:	294382
PubChem CID:	117455234
Reduced:	NO6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-258.4
Dipole, Da:	4.27
IP(EA), eV:	-9.39(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1-isocyanatocyclopropyl)phenyl]-3-propan-2-ylimidazol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(C(=O)O)O)O

DOS

IR

Vibrations