Geometry & MOs

Info

ID:	258644
PubChem CID:	103155893
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	298.114042
ΔH_f, kcal/mol:	-101.11
Dipole, Da:	4.1
IP(EA), eV:	-9.44(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-3-methoxybutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1CC2CCC1C2)CN

DOS

IR

Vibrations