Geometry & MOs

Info

ID:	156326
PubChem CID:	56370088
Reduced:	BrOSN3C19H24 (1)
Stoich.:	ABCD3E19F24 (1)
Weight, g/mol:	429.166411
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	1.34
IP(EA), eV:	-8.5(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(2-phenylphenyl)methyl]-3-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=C(C=C(C=C2)CN3CCSCC3)C)Br

DOS

IR

Vibrations