Geometry & MOs

Info

ID:	49952
PubChem CID:	11538298
Reduced:	ON5C22H37 (1)
Stoich.:	AB5C22D37 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-51.54
Dipole, Da:	4.63
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CN=C(C=N1)N2CCC(CC2)CC3CCN(CC3)C(C)C

DOS

IR

Vibrations