Geometry & MOs

Info

ID:	45783
PubChem CID:	10517613
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	290.141913
ΔH_f, kcal/mol:	-162.02
Dipole, Da:	4.12
IP(EA), eV:	-10.04(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5R)-2-amino-3-hydroxy-3-(4-methylphenyl)-5-phenylcyclopentene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)C)C2CCC(CC2)C(=O)OC)C

DOS

IR

Vibrations