Geometry & MOs

Info

ID:	359834
PubChem CID:	127299878
Reduced:	FO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-139.36
Dipole, Da:	3.09
IP(EA), eV:	-9.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CN2CCCC(C2)CNC(=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations