Geometry & MOs

Info

ID:	333448
PubChem CID:	127252000
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	3.18
Dipole, Da:	6.42
IP(EA), eV:	-8.8(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[6-(pyrazin-2-ylamino)pyridin-3-yl]piperidin-1-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=NC=C(C=C2)C3CCCCN3C(=O)C4CCC4)C

DOS

IR

Vibrations