Geometry & MOs

Info

ID:	155447
PubChem CID:	56365502
Reduced:	IN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-29.88
Dipole, Da:	1.07
IP(EA), eV:	-9.5(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]amino]ethoxy]benzamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)I

DOS

IR

Vibrations