Geometry & MOs

Info

ID:	58929
PubChem CID:	24719448
Reduced:	ClO2N6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	383.257277
ΔH_f, kcal/mol:	-37.97
Dipole, Da:	7.12
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-2-cyclopentyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=CN=C(NC1=O)N2CCN(CC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations