Geometry & MOs

Info

ID:	351819
PubChem CID:	127282219
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	378.263091
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	4.07
IP(EA), eV:	-9.08(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(2-oxoazepan-1-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CN3C=CC=CC3=O

DOS

IR

Vibrations