Geometry & MOs

Info

ID:	252335
PubChem CID:	103110641
Reduced:	O2F3N3C13H22 (1)
Stoich.:	A2B3C3D13E22 (1)
Weight, g/mol:	289.09819
ΔH_f, kcal/mol:	-272.08
Dipole, Da:	7.32
IP(EA), eV:	-9.34(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1CCC(CN1)C(F)(F)F

DOS

IR

Vibrations