Geometry & MOs

Info

ID:	69547
PubChem CID:	47193726
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	358.05421
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	4.2
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-(4-iodophenyl)-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)NCC3CC3)C

DOS

IR

Vibrations