Geometry & MOs

Info

ID:	162364
PubChem CID:	57394441
Reduced:	Cl2O2N4H16C17 (1)
Stoich.:	A2B2C4D16E17 (1)
Weight, g/mol:	407.182062
ΔH_f, kcal/mol:	-46.58
Dipole, Da:	2.43
IP(EA), eV:	-9.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[4-[3-(4-fluorophenoxy)pyrrolidin-1-yl]butyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=C2CN(C(=O)C2=N1)CC(=O)N)C3=C(C=C(C=C3)Cl)Cl)CN

DOS

IR

Vibrations