Geometry & MOs

Info

ID:	311370
PubChem CID:	126591199
Reduced:	N3O5C9H17 (1)
Stoich.:	A3B5C9D17 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	-139.57
Dipole, Da:	4.16
IP(EA), eV:	-9.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-methyl-4,6-dihydro-3H-indeno[2,1-b]indole

Drug info:

PubChemData

Smile

CO[C@H]1[C@H](C(O[C@@H](C1OC)OC)CN=[N+]=[N-])O

DOS

IR

Vibrations