Geometry & MOs

Info

ID:	444723
PubChem CID:	135263377
Reduced:	O3N6C32H40 (1)
Stoich.:	A3B6C32D40 (1)
Weight, g/mol:	487.294725
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	6.71
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]-2-(6-piperazin-1-ylpyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=CN=C(N=C4)N5CCN(CC5)C(=O)C)N6CCCCC6

DOS

IR

Vibrations