Geometry & MOs

Info

ID:	217232
PubChem CID:	85087476
Reduced:	N3O6H15C16 (1)
Stoich.:	A3B6C15D16 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-147.79
Dipole, Da:	8.05
IP(EA), eV:	-9.2(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,5-trimethoxyphenyl)-11-oxa-1,4,6-triazatricyclo[7.3.0.03,7]dodeca-3(7),4-dien-12-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=NN(CC(=O)O)C(=O)CN2C(=O)C=CC2=O

DOS

IR

Vibrations