Geometry & MOs

Info

ID:	345897
PubChem CID:	127270197
Reduced:	FO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	387.19582
ΔH_f, kcal/mol:	-171.43
Dipole, Da:	3.62
IP(EA), eV:	-9.2(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-(9-oxobicyclo[3.3.1]nonane-3-carbonyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC(=O)N1CCCCC1C(=O)N2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations