Geometry & MOs

Info

ID:	355275
PubChem CID:	127288207
Reduced:	ON5C16H25 (1)
Stoich.:	AB5C16D25 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	6.21
IP(EA), eV:	-8.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC2=CC(=NC=N2)N3CCCCC3

DOS

IR

Vibrations