Geometry & MOs

Info

ID:	126599
PubChem CID:	50969405
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	256.168797
ΔH_f, kcal/mol:	-105.86
Dipole, Da:	2.53
IP(EA), eV:	-8.84(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,6-dimethylpyridin-3-yl)methyl]-5-ethyl-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(CC1(CCOCC1)CO)C2=CC(=NC=N2)OC

DOS

IR

Vibrations