Geometry & MOs

Info

ID:	216874
PubChem CID:	85086915
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	7.18
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3-hydroxypropyl)-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

COC1=CC=CC(=C1)C(=CCCCCC(=O)O)C2=CN=CC=C2

DOS

IR

Vibrations