Geometry & MOs

Info

ID:	351810
PubChem CID:	127282210
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	394.258006
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	6.86
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(4-morpholin-4-yl-4-oxobutanoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations