Geometry & MOs

Info

ID:	402370
PubChem CID:	135055705
Reduced:	NC16H19 (1)
Stoich.:	AB16C19 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	44.11
Dipole, Da:	2.7
IP(EA), eV:	-7.87(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(S)-(3-acetyloxyphenyl)-pyridin-2-ylmethyl]-4-butylphenyl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@@]1(C)C=C)N(C3=CC=CC=C23)C

DOS

IR

Vibrations