Geometry & MOs

Info

ID:	342768
PubChem CID:	127265931
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	355.169605
ΔH_f, kcal/mol:	38.34
Dipole, Da:	4.53
IP(EA), eV:	-8.48(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydro-2-benzofuran-5-yl)-3-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC2=CN(N=N2)C

DOS

IR

Vibrations