Geometry & MOs

Info

ID:	359790
PubChem CID:	127299834
Reduced:	ON6C22H30 (1)
Stoich.:	AB6C22D30 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	19.25
Dipole, Da:	6.93
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2CCC(CC2)C(=O)N3CCN(CC3)C)C4=CC=CC=N4)C

DOS

IR

Vibrations