Geometry & MOs

Info

ID:	279588
PubChem CID:	103844399
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	6.29
Dipole, Da:	2.38
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,5-dimethyl-4-nitropyrazol-3-yl)amino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC2=NC=CN=C2C=C1)CO

DOS

IR

Vibrations