Geometry & MOs

Info

ID:	126053
PubChem CID:	50949894
Reduced:	N5C21H21 (1)
Stoich.:	A5B21C21 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	115.41
Dipole, Da:	3.93
IP(EA), eV:	-8.87(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylamino]pyrimidin-4-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)CN3CCN(CC3)C4=CC=CC(=N4)C#N)C=CC=N2

DOS

IR

Vibrations