Geometry & MOs

Info

ID:	130551
PubChem CID:	51091206
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	259.095691
ΔH_f, kcal/mol:	-76.97
Dipole, Da:	4.4
IP(EA), eV:	-9.02(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCOCCOC(C)C(=O)NC1=CC=CC(=C1)C2=CC=NN2

DOS

IR

Vibrations