Geometry & MOs

Info

ID:	130180
PubChem CID:	51075157
Reduced:	FON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	4.62
Dipole, Da:	5.84
IP(EA), eV:	-8.86(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methoxypropan-2-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CC=C1F)NCC2=CN=C(C=C2)N3C=CN=C3

DOS

IR

Vibrations