Geometry & MOs

Info

ID:	310607
PubChem CID:	126583700
Reduced:	BrNC9H16 (1)
Stoich.:	ABC9D16 (1)
Weight, g/mol:	147.104799
ΔH_f, kcal/mol:	2.98
Dipole, Da:	2.62
IP(EA), eV:	-8.29(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-ethynyl-2,4,5-trimethyl-1H-pyridine

Drug info:

PubChemData

Smile

CC(C)/C(=C/N(C)C(=C)C)/Br

DOS

IR

Vibrations