Geometry & MOs

Info

ID:	279576
PubChem CID:	103844379
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	243.11384
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	2.98
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-chloropyrazin-2-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=CC(=NC=C1)C(=O)NCC)CO

DOS

IR

Vibrations