Geometry & MOs

Info

ID:	285975
PubChem CID:	104143084
Reduced:	NOCl2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	255.138992
ΔH_f, kcal/mol:	-33.6
Dipole, Da:	3.43
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2-(3,3-dimethylbutoxy)-6-ethylpyridine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=CC(=CC(=N2)C(C)(C)C)CCl

DOS

IR

Vibrations