Geometry & MOs

Info

ID:	279563
PubChem CID:	103844344
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	285.16079
ΔH_f, kcal/mol:	-57.57
Dipole, Da:	10.52
IP(EA), eV:	-8.88(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=C(C=C1C)[N+](=O)[O-])CO

DOS

IR

Vibrations