Geometry & MOs

Info

ID:	370146
PubChem CID:	127337519
Reduced:	ClON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	385.166938
ΔH_f, kcal/mol:	13.76
Dipole, Da:	4.56
IP(EA), eV:	-8.9(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NC3CCC4=C3C=CC=C4Cl

DOS

IR

Vibrations