Geometry & MOs

Info

ID:	370211
PubChem CID:	127337744
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-54.37
Dipole, Da:	2.62
IP(EA), eV:	-8.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methyl-2,3-dihydro-1H-inden-1-yl)-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations