Geometry & MOs

Info

ID:	130871
PubChem CID:	51119578
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	5.22
IP(EA), eV:	-8.63(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)-1-prop-2-ynylurea

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CN3CCN(CC3)CCN4C(=O)CCC4=O

DOS

IR

Vibrations