Geometry & MOs

Info

ID:	370075
PubChem CID:	127337338
Reduced:	OF3N4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	385.208945
ΔH_f, kcal/mol:	-213.26
Dipole, Da:	8.36
IP(EA), eV:	-9.01(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC3CCC(CC3)C(F)(F)F

DOS

IR

Vibrations