Geometry & MOs

Info

ID:	397346
PubChem CID:	135030081
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	272.08373
ΔH_f, kcal/mol:	-145.94
Dipole, Da:	2.18
IP(EA), eV:	-9.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,18-dioxapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(14),2,4,6,8,10,12,15(19),20-nonaene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C(=O)CC(=O)N2[C@H](O1)C(C)(C)C

DOS

IR

Vibrations