Geometry & MOs

Info

ID:	48596
PubChem CID:	11109352
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	303.01062
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	4.16
IP(EA), eV:	-9.34(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-4-(2-ethoxy-2-oxoethyl)-4H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC2=CC=CC=C2C1C3CCCC3=O

DOS

IR

Vibrations