Geometry & MOs

Info

ID:	190657
PubChem CID:	78036451
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	234.110338
ΔH_f, kcal/mol:	-140.55
Dipole, Da:	5.69
IP(EA), eV:	-9.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-2,2-dimethyl-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-d]oxepine-4,5-diol

Drug info:

PubChemData

Smile

CC(=O)NC(C)(C)OC(CCO)C1=CC=CC=C1

DOS

IR

Vibrations