Geometry & MOs

Info

ID:	244627
PubChem CID:	99368438
Reduced:	ClOSN4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	433.257671
ΔH_f, kcal/mol:	12.47
Dipole, Da:	5.51
IP(EA), eV:	-8.58(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations