Geometry & MOs

Info

ID:	448446
PubChem CID:	135291018
Reduced:	ClNC11H16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	197.097127
ΔH_f, kcal/mol:	-6.7
Dipole, Da:	4.76
IP(EA), eV:	-9.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-chloro-2,4-dimethylpyridine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1C)C(C)(C)C)Cl

DOS

IR

Vibrations