Geometry & MOs

Info

ID:	291654
PubChem CID:	113456054
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	382.97073
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	5.75
IP(EA), eV:	-9.88(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]pyridine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CC2=CC(=CN=C2)Br)C(=O)O

DOS

IR

Vibrations