Geometry & MOs

Info

ID:	1199
PubChem CID:	3978
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	287.115758
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	4.74
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraene-17,18-diol

Drug info:

PubChemData

Smile

C1CN2CC3=CC4=C(C=C3C5C2C1=CC(C5O)O)OCO4

DOS

IR

Vibrations