Geometry & MOs

Info

ID:	365908
PubChem CID:	127319173
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	4.94
IP(EA), eV:	-9.3(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylcyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=CC=C2)NC(=O)NCC3=NN=C4N3CCCC4

DOS

IR

Vibrations