Geometry & MOs

Info

ID:	73800
PubChem CID:	48420484
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	340.121178
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	4.45
IP(EA), eV:	-9.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] quinoline-2-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4)[N+](=O)[O-]

DOS

IR

Vibrations