Geometry & MOs

Info

ID:	73804
PubChem CID:	48420488
Reduced:	N2O4H16C21 (1)
Stoich.:	A2B4C16D21 (1)
Weight, g/mol:	289.110279
ΔH_f, kcal/mol:	11.38
Dipole, Da:	4.73
IP(EA), eV:	-9.94(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations