Geometry & MOs

Info

ID:	438461
PubChem CID:	135228202
Reduced:	ON2C12H28 (1)
Stoich.:	AB2C12D28 (1)
Weight, g/mol:	238.01056
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	3.3
IP(EA), eV:	-9.12(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-propylpyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC[C@@](C)(CCOC(C)(CC)CCN)N

DOS

IR

Vibrations