Geometry & MOs

Info

ID:	370190
PubChem CID:	127337678
Reduced:	SO2N3C16H31 (1)
Stoich.:	AB2C3D16E31 (1)
Weight, g/mol:	374.27941
ΔH_f, kcal/mol:	-104.54
Dipole, Da:	6.92
IP(EA), eV:	-8.38(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1C(S(=O)CCN1C(=O)NCC2CCCN(C2)C(C)C)C

DOS

IR

Vibrations