Geometry & MOs

Info

ID:	413333
PubChem CID:	135086281
Reduced:	BrN2C26H29 (1)
Stoich.:	AB2C26D29 (1)
Weight, g/mol:	248.035255
ΔH_f, kcal/mol:	91.37
Dipole, Da:	3.56
IP(EA), eV:	-8.29(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-3-nitro-4-phenylpyridine

Drug info:

PubChemData

Smile

CCCCC#CC1=CC=CC=C1CN2C3=CC=CC=C3C(=C2Br)C=NC(C)(C)C

DOS

IR

Vibrations