Geometry & MOs

Info

ID:	360051
PubChem CID:	127300319
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	387.243439
ΔH_f, kcal/mol:	-70.43
Dipole, Da:	2.98
IP(EA), eV:	-8.7(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCCC1)NC(=O)NC2CCC3=NC(=CN3C2)C(C)(C)C

DOS

IR

Vibrations