Geometry & MOs

Info

ID:	146284
PubChem CID:	53664423
Reduced:	Cl2O4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	225.15175
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	2.19
IP(EA), eV:	-9.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-tert-butylphenyl)methyl]pyridine

Drug info:

PubChemData

Smile

[3H]C(C(=O)O)OC1=C(C(=C(C=C1)C(=O)C(=C)CC)Cl)Cl

DOS

IR

Vibrations