Geometry & MOs

Info

ID:	192694
PubChem CID:	78302673
Reduced:	NOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	208.182715
ΔH_f, kcal/mol:	56.01
Dipole, Da:	3.62
IP(EA), eV:	-9.61(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-3,4,6,7-tetramethyl-1,3a,4,5,7,7a-hexahydroindene

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)[O-])C2C=CC3=NC(=O)C=CC3=C2

DOS

IR

Vibrations