Geometry & MOs

Info

ID:	349812
PubChem CID:	127276204
Reduced:	F2O2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-188.05
Dipole, Da:	4.63
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]urea

Drug info:

PubChemData

Smile

CC(=O)NC(CC(=O)N1CCCC1CN2CCCCC2)C3=C(C=CC=C3F)F

DOS

IR

Vibrations