Geometry & MOs

Info

ID:	222583
PubChem CID:	85305567
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	374.266839
ΔH_f, kcal/mol:	-173.62
Dipole, Da:	2.83
IP(EA), eV:	-8.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1-ethoxyethoxy)propyl]-3-(methoxymethoxy)-3-methyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[b]oxepin-6-ol

Drug info:

PubChemData

Smile

CC(=C1C2=C(C=C(C=C2)N)N(C1=O)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations