Geometry & MOs

Info

ID:	130873
PubChem CID:	51119580
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	315.137162
ΔH_f, kcal/mol:	52.45
Dipole, Da:	9.77
IP(EA), eV:	-9.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyanophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-1-prop-2-ynylurea

Drug info:

PubChemData

Smile

C#CCN(C1CCC2=CC=CC=C12)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations