Geometry & MOs

Info

ID:	137301
PubChem CID:	52186124
Reduced:	FON3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	327.174691
ΔH_f, kcal/mol:	-34.86
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.003413
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations