Geometry & MOs

Info

ID:	217267
PubChem CID:	85087534
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	3.12
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-one

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=C(N=C3N2C=CC=C3)C4=CC=CC=C4OC)NC1=O

DOS

IR

Vibrations