Geometry & MOs

Info

ID:	69556
PubChem CID:	47193736
Reduced:	ION4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	377.00251
ΔH_f, kcal/mol:	30.49
Dipole, Da:	4.8
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-cyanophenyl)methyl]-3-(4-iodophenyl)urea

Drug info:

PubChemData

Smile

CC(CN1C=CC=N1)NC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations