Geometry & MOs

Info

ID:	345903
PubChem CID:	127270203
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	385.143784
ΔH_f, kcal/mol:	-172.12
Dipole, Da:	4.11
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C(=O)N2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations