Geometry & MOs

Info

ID:	401833
PubChem CID:	135052853
Reduced:	NO5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	402.222636
ΔH_f, kcal/mol:	-111.94
Dipole, Da:	5.85
IP(EA), eV:	-10.61(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-[(1S,2R)-2-(ethoxymethoxymethyl)-1-methylcyclopropyl]prop-2-yn-1-one

Drug info:

PubChemData

Smile

CCC(=O)C(C(=O)C)C(=O)C1=C(C=CC(=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations