Geometry & MOs

Info

ID:	323389
PubChem CID:	126674667
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	534.24539
ΔH_f, kcal/mol:	-37.53
Dipole, Da:	5.09
IP(EA), eV:	-8.42(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-acetylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-[4-(pyridin-4-ylmethoxy)cyclohexyl]urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC(=C(N=C4)N)C(=O)N

DOS

IR

Vibrations