Geometry & MOs

Info

ID:	367345
PubChem CID:	127324297
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	371.212139
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	2.13
IP(EA), eV:	-8.77(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3-(1-cyclopropylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)N(C)C3CC3

DOS

IR

Vibrations