Geometry & MOs

Info

ID:	345937
PubChem CID:	127270237
Reduced:	FO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	362.211804
ΔH_f, kcal/mol:	-141.86
Dipole, Da:	5.19
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC1)N2CCC(C2)NC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations