Geometry & MOs

Info

ID:	69529
PubChem CID:	47193706
Reduced:	SO3N4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	252.102941
ΔH_f, kcal/mol:	-78.19
Dipole, Da:	2.97
IP(EA), eV:	-8.95(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-3-[(2-methylcyclopropyl)methyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations