Geometry & MOs

Info

ID:	199430
PubChem CID:	79246024
Reduced:	ON2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	225.111341
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	3.09
IP(EA), eV:	-8.54(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)NC(CO)C(C)C

DOS

IR

Vibrations