Geometry & MOs

Info

ID:	382068
PubChem CID:	134972986
Reduced:	N3O5H29C33 (1)
Stoich.:	A3B5C29D33 (1)
Weight, g/mol:	548.17763
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	2.61
IP(EA), eV:	-8.54(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13,13'-spirobi[12-oxapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene]

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)OC)OC2=CC=CC=C2C3=NN4C(=N3)CC(OC5=C4C=C(C=C5)C)C6=CC=CC=C6

DOS

IR

Vibrations