Geometry & MOs

Info

ID:	370149
PubChem CID:	127337522
Reduced:	ClFON4C19H24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	388.29506
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	7.78
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)NC(C)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations