Geometry & MOs

Info

ID:	426936
PubChem CID:	135154625
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	4.46
IP(EA), eV:	-8.78(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC2=C(NNC2=O)N=C1N3CCC(CC3)OC4=CN=C(C=C4)OC

DOS

IR

Vibrations