Geometry & MOs

Info

ID:	218337
PubChem CID:	85089198
Reduced:	O3N4H20C27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	450.261754
ΔH_f, kcal/mol:	71.72
Dipole, Da:	6.47
IP(EA), eV:	-9.17(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)undec-10-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC2C(=O)NC3=CC4=C5C(=C3)N=C(C5=CN=NC4=O)C6=CC=CC=C6

DOS

IR

Vibrations