Geometry & MOs

Info

ID:	217311
PubChem CID:	85087599
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	351.219829
ΔH_f, kcal/mol:	-77.17
Dipole, Da:	4.9
IP(EA), eV:	-9.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-heptyl-14,15-dimethyl-11-azatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene-10,12-dione

Drug info:

PubChemData

Smile

CC(C)(C=O)C1=CC=C(C=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2

DOS

IR

Vibrations