Geometry & MOs

Info

ID:	323405
PubChem CID:	126674713
Reduced:	FNOC29H42 (1)
Stoich.:	ABCD29E42 (1)
Weight, g/mol:	445.080489
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	1.15
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(cyanomethyl)phenoxy]phenyl]urea

Drug info:

PubChemData

Smile

C[C@H](CN(CC1=CC=C(C=C1)C2=CC(=C(C=C2)COC3CCCC3)F)CC(C)C)C(C)C

DOS

IR

Vibrations