Geometry & MOs

Info

ID:	217707
PubChem CID:	85088247
Reduced:	NO4C24H25 (1)
Stoich.:	AB4C24D25 (1)
Weight, g/mol:	390.181767
ΔH_f, kcal/mol:	-118.12
Dipole, Da:	6.67
IP(EA), eV:	-9.3(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,6-dimethyl-16-(2-phenylethyl)-4,6-diaza-16-azoniatetracyclo[10.3.1.02,7.09,15]hexadeca-1(16),2(7),13-triene-3,5,10-trione

Drug info:

PubChemData

Smile

CC(CCOC(=O)C1CCCN1C2=CC(=O)OC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations