Geometry & MOs

Info

ID:	217777
PubChem CID:	85088367
Reduced:	O5C9H11 (2)
Stoich.:	A5B9C11 (2)
Weight, g/mol:	397.18758
ΔH_f, kcal/mol:	-418.01
Dipole, Da:	1.01
IP(EA), eV:	-9.92(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-(8-benzyl-4,6-dimethyl-3,5-dioxo-4,6,12-triaza-8-azoniatricyclo[7.2.1.02,7]dodeca-1,7-dien-12-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=COC(=C1)C2C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations