Geometry & MOs

Info

ID:	444875
PubChem CID:	135263792
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	5.26
IP(EA), eV:	-8.2(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-pyridin-1-yl)ethyl acetate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)COC4=CC=C(C=C4)NCCC(=O)O

DOS

IR

Vibrations