Geometry & MOs

Info

ID:	170595
PubChem CID:	75258299
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-36.9
Dipole, Da:	4.83
IP(EA), eV:	-9.05(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(azocan-1-yl)propanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COCC1CCN(CC1)CC2=CC(=CC=C2)C3NC(CC(=O)N3)C4=CC=NC=C4

DOS

IR

Vibrations