Geometry & MOs

Info

ID:	326020
PubChem CID:	126686070
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-156.86
Dipole, Da:	8.98
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[13-(dimethylamino)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaen-5-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNCCN(C)C

DOS

IR

Vibrations