Geometry & MOs

Info

ID:	221973
PubChem CID:	85293087
Reduced:	O6C25H30 (1)
Stoich.:	A6B25C30 (1)
Weight, g/mol:	426.251858
ΔH_f, kcal/mol:	-196.64
Dipole, Da:	4.7
IP(EA), eV:	-9.12(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[[5-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]cyclopent-2-en-1-yl]methyl]-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CC=CC(=O)OC1C(OC(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC)C

DOS

IR

Vibrations