Geometry & MOs

Info

ID:	185831
PubChem CID:	77356326
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	562.311451
ΔH_f, kcal/mol:	-97.36
Dipole, Da:	2.45
IP(EA), eV:	-9.51(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]butanoic acid

Drug info:

PubChemData

Smile

CCCCC1C(C(=O)NC(N1)N)CC2=CC(=C(C=C2)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations