Geometry & MOs

Info

ID:	370115
PubChem CID:	127337481
Reduced:	FN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	-169.52
Dipole, Da:	4.21
IP(EA), eV:	-8.89(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(COC1=CC(=CC=C1)F)NC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations