Geometry & MOs

Info

ID:	222280
PubChem CID:	85296145
Reduced:	NO3C19H19 (1)
Stoich.:	AB3C19D19 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	5.57
IP(EA), eV:	-9.67(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,14,14-trimethyl-3,13-diazapentacyclo[13.2.2.02,10.04,9.012,17]nonadeca-2(10),4,6,8-tetraen-11-ol

Drug info:

PubChemData

Smile

C=C(CCC(C=NO)C1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations