Geometry & MOs

Info

ID:	340475
PubChem CID:	127262486
Reduced:	BrNO2H14C18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	2.41
Dipole, Da:	3.99
IP(EA), eV:	-8.78(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylphenyl)methyl 2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC=CN1C(=O)OC2=C(C=CC(=C2)Br)C3=CC=CC=C3

DOS

IR

Vibrations