Geometry & MOs

Info

ID:	390985
PubChem CID:	135002054
Reduced:	N4O5C17H22 (1)
Stoich.:	A4B5C17D22 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	2.07
IP(EA), eV:	-9.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-[(E,1R)-1-hydroxy-3-phenylprop-2-enyl]cyclopent-2-en-1-yl] propan-2-yl carbonate

Drug info:

PubChemData

Smile

CC([C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)N2C=C(N=N2)CCO

DOS

IR

Vibrations