Geometry & MOs

Info

ID:	412929
PubChem CID:	135085866
Reduced:	BrON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	5.24
IP(EA), eV:	-9.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-5-prop-1-en-2-yloxypyridine

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H](C=C1)NC(=O)C2=CC=CC=C2Br)C#N

DOS

IR

Vibrations