Geometry & MOs

Info

ID:	222448
PubChem CID:	85300753
Reduced:	O8C15H22 (1)
Stoich.:	A8B15C22 (1)
Weight, g/mol:	330.132805
ΔH_f, kcal/mol:	-349.58
Dipole, Da:	2.48
IP(EA), eV:	-9.35(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8,12-dimethyl-11,13-dioxo-1,8,12,15-tetrazatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-triene-9-carboxylate

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)O)O)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations