Geometry & MOs

Info

ID:	393149
PubChem CID:	135019562
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	376.101032
ΔH_f, kcal/mol:	-117.91
Dipole, Da:	4.16
IP(EA), eV:	-8.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3,5-bis(trifluoromethyl)phenyl]phenyl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CC(C)C1=C(OC(=N1)[C@]2(C(=O)OC[C@@H](N2)CC3=CC=CC=C3)C)N4CCOCC4

DOS

IR

Vibrations