Geometry & MOs

Info

ID:	362622
PubChem CID:	127308890
Reduced:	ON7C17H23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	53.11
Dipole, Da:	7.05
IP(EA), eV:	-9.37(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations