Geometry & MOs

Info

ID:	333461
PubChem CID:	127252013
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	3.64
IP(EA), eV:	-8.56(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-1-[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC2=NC=C(C=C2)C3CCCCN3C(=O)CNS(=O)(=O)C

DOS

IR

Vibrations