Geometry & MOs

Info

ID:	364658
PubChem CID:	127315953
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	19.36
Dipole, Da:	5.79
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-3-yl-(2,4-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CN(C3CCCC3)C(=O)C4=CN(N=C4C)C

DOS

IR

Vibrations