Geometry & MOs

Info

ID:	345934
PubChem CID:	127270234
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	391.238353
ΔH_f, kcal/mol:	-141.21
Dipole, Da:	5.35
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CN2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations