Geometry & MOs

Info

ID:	364655
PubChem CID:	127315950
Reduced:	O2N6C19H32 (1)
Stoich.:	A2B6C19D32 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	4.17
IP(EA), eV:	-8.65(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N(C)C2CCN(CC2)CC(=O)N3CCN(CC3)C)C

DOS

IR

Vibrations