Geometry & MOs

Info

ID:	139765
PubChem CID:	52591034
Reduced:	OCl3N3C19H20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	409.197712
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	3.81
IP(EA), eV:	-9.14(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations