Geometry & MOs

Info

ID:	73816
PubChem CID:	48420522
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	364.105922
ΔH_f, kcal/mol:	4.8
Dipole, Da:	5.71
IP(EA), eV:	-9.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(3-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations