Geometry & MOs

Info

ID:	391905
PubChem CID:	135010859
Reduced:	O7C37H46 (1)
Stoich.:	A7B37C46 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-252.58
Dipole, Da:	5.01
IP(EA), eV:	-8.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,14,15,16-tetramethoxy-8-azatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),5,12,14-pentaen-3-yne

Drug info:

PubChemData

Smile

C[C@@H]1/C=C/C=C(/[C@H](C[C@H](OC(=O)/C=C/CC2C[C@H]1OC(=O)C2)[C@H](C)COCC3=CC=CC=C3)OCC4=CC=C(C=C4)OC)\C

DOS

IR

Vibrations