Geometry & MOs

Info

ID:	1017
PubChem CID:	3673
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	297.172879
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	4.2
IP(EA), eV:	-9.24(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CC=CC=N2

DOS

IR

Vibrations