Geometry & MOs

Info

ID:	444732
PubChem CID:	135263392
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	565.272276
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	2.47
IP(EA), eV:	-8.77(-0.28)
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-(3-methylsulfonylpiperidin-1-yl)pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1=CN=C(N=C1)N2CCNCC2

DOS

IR

Vibrations