Geometry & MOs

Info

ID:	217068
PubChem CID:	85087198
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	5.17
IP(EA), eV:	-9.45(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-[2-(3-oxocyclohexyl)ethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=NC(=N1)NCCOCCO)N=C3C=CC=CC3=NC2=O

DOS

IR

Vibrations