Geometry & MOs

Info

ID:	130872
PubChem CID:	51119579
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	19.33
Dipole, Da:	4.63
IP(EA), eV:	-8.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)N(CC#C)C2CCC3=CC=CC=C23

DOS

IR

Vibrations