Geometry & MOs

Info

ID:	420949
PubChem CID:	135115113
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-83.84
Dipole, Da:	3.65
IP(EA), eV:	-8.33(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)pyrazin-2-yl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CN2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations