Geometry & MOs

Info

ID:	323427
PubChem CID:	126674784
Reduced:	O2N5C25H33 (1)
Stoich.:	A2B5C25D33 (1)
Weight, g/mol:	427.208276
ΔH_f, kcal/mol:	-34.36
Dipole, Da:	3.3
IP(EA), eV:	-8.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-acetylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-cyclohexylurea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CO[C@H]2CCC[C@@H]2NC(C3=C(N=CC(=C3)C4=CN(N=C4C)C)N)O)C

DOS

IR

Vibrations