Geometry & MOs

Info

ID:	69488
PubChem CID:	47193447
Reduced:	OCl2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	314.00474
ΔH_f, kcal/mol:	-60.13
Dipole, Da:	6.61
IP(EA), eV:	-9.13(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dichlorophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations