Geometry & MOs

Info

ID:	345538
PubChem CID:	127269838
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	382.157182
ΔH_f, kcal/mol:	-92.16
Dipole, Da:	3.94
IP(EA), eV:	-8.64(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC1CC(CN(C1)CC2=CC=C(C=C2)CNC(=O)NC3CCCNC3=O)C

DOS

IR

Vibrations