Geometry & MOs

Info

ID:	370143
PubChem CID:	127337516
Reduced:	F2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	385.166938
ΔH_f, kcal/mol:	-209.63
Dipole, Da:	3.09
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations