Geometry & MOs

Info

ID:	365903
PubChem CID:	127319167
Reduced:	ON2C11H19 (2)
Stoich.:	AB2C11D19 (2)
Weight, g/mol:	392.257612
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	2.52
IP(EA), eV:	-8.59(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylcyclohexyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1CCCCN1CC2CCCN(C2)C(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations