Geometry & MOs

Info

ID:	444726
PubChem CID:	135263380
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	566.267525
ΔH_f, kcal/mol:	-171.65
Dipole, Da:	4.07
IP(EA), eV:	-8.78(-0.2)
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-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1=CN=C(N=C1)N2CCC(CC2)C(=O)OC

DOS

IR

Vibrations