Geometry & MOs

Info

ID:	279574
PubChem CID:	103844371
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-50.4
Dipole, Da:	2.21
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(4-methyl-5-nitropyridin-2-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)NCC(CC)(CC)CO

DOS

IR

Vibrations