Geometry & MOs

Info

ID:	223581
PubChem CID:	85335267
Reduced:	Cl2N4O4C19H24 (1)
Stoich.:	A2B4C4D19E24 (1)
Weight, g/mol:	441.186398
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	4.19
IP(EA), eV:	-9.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-2-(2-hydroxyethoxy)phenyl]-3-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)CC(=O)NCC2CN(CCO2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations