Geometry & MOs

Info

ID:	221893
PubChem CID:	85292285
Reduced:	N2O9C13H16 (1)
Stoich.:	A2B9C13D16 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-388.74
Dipole, Da:	3.29
IP(EA), eV:	-10.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-hydroxy-N-[4-(1-hydroxy-2-methyl-3-phenylprop-2-enyl)cyclopent-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)OC1COC2(C(C1OC(=O)C)OC(=O)C)C(=O)NC(=O)N2

DOS

IR

Vibrations