Geometry & MOs

Info

ID:	336954
PubChem CID:	127256109
Reduced:	N2O2H40C57 (1)
Stoich.:	A2B2C40D57 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	163.01
Dipole, Da:	1.39
IP(EA), eV:	-7.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-nitro-3-phenylmethoxypyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)C4=C(C3(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)C=C(C=C4)N(C7=CC=CC=C7)C8=CC=CC9=CC=CC=C98)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations