Geometry & MOs

Info

ID:	30558
PubChem CID:	841497
Reduced:	ClN2O4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-46.81
Dipole, Da:	8.75
IP(EA), eV:	-9.38(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations