Geometry & MOs

Info

ID:	179985
PubChem CID:	76562376
Reduced:	NO4C13H13 (2)
Stoich.:	AB4C13D13 (2)
Weight, g/mol:	446.302
ΔH_f, kcal/mol:	-233.53
Dipole, Da:	7.51
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-methyl-3-pentan-3-ylbicyclo[2.2.1]heptane;rutherfordium

Drug info:

PubChemData

Smile

CC(COC)OC1=CC(=CC(=C1)OC2=CC3=C(C=C2)OCCO3)C(=O)NC4=NC=C(C=C4)C(=O)OC

DOS

IR

Vibrations