Geometry & MOs

Info

ID:	43030
PubChem CID:	10317923
Reduced:	O2N5H19C22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	84.17
Dipole, Da:	2.59
IP(EA), eV:	-8.54(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CONC(=O)C1=CC=CC=C1NC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4

DOS

IR

Vibrations