Geometry & MOs

Info

ID:	351802
PubChem CID:	127282202
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-38.53
Dipole, Da:	2.66
IP(EA), eV:	-9.15(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(oxane-4-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4

DOS

IR

Vibrations