Geometry & MOs

Info

ID:	346748
PubChem CID:	127271252
Reduced:	FO3N5C19H22 (1)
Stoich.:	AB3C5D19E22 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	4.51
IP(EA), eV:	-8.71(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4-dioxan-2-ylmethyl)-3-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)NCC3=CC(=CC4=C3OCOC4)F

DOS

IR

Vibrations