Geometry & MOs

Info

ID:	189260
PubChem CID:	77835461
Reduced:	O4N5C10H17 (1)
Stoich.:	A4B5C10D17 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-121.69
Dipole, Da:	6.57
IP(EA), eV:	-10.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid;1,2-thiazolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CCC(O2)CO.N=[N+]=[N-]

DOS

IR

Vibrations