Geometry & MOs

Info

ID:	357111
PubChem CID:	127293337
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	7.33
Dipole, Da:	5.68
IP(EA), eV:	-8.59(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)C2=CC=CC3=C2NN=C3

DOS

IR

Vibrations