Geometry & MOs

Info

ID:	216768
PubChem CID:	85086746
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	4.88
IP(EA), eV:	-9.61(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18-methyl-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1(C(C(=O)C1=O)C(=O)OC)C=CC2=CC=CC=C2

DOS

IR

Vibrations