Geometry & MOs

Info

ID:	69485
PubChem CID:	47193437
Reduced:	IN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	399.98394
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	4.01
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-(4-iodo-2-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)NC2=C(C=C(C=C2)I)C

DOS

IR

Vibrations