Geometry & MOs

Info

ID:	71213
PubChem CID:	48414459
Reduced:	FO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	379.129884
ΔH_f, kcal/mol:	35.04
Dipole, Da:	3.99
IP(EA), eV:	-9.16(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-but-3-ynylpiperazine-1-carbonyl)-2-chloro-6-methoxyphenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3F)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations