Geometry & MOs

Info

ID:	218614
PubChem CID:	85089691
Reduced:	O4C13H22 (2)
Stoich.:	A4B13C22 (2)
Weight, g/mol:	484.304956
ΔH_f, kcal/mol:	-395.79
Dipole, Da:	3.36
IP(EA), eV:	-9.84(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[5-[2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(=CCOC1C(C(C(C(O1)CO)O)O)O)CCC2C(=C)CCC3C2(CC(CC3(C)CO)O)C

DOS

IR

Vibrations