Geometry & MOs

Info

ID:	345895
PubChem CID:	127270195
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	3.25
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)NC2=CC=C(C=C2)F)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations