Geometry & MOs

Info

ID:	206125
PubChem CID:	80208439
Reduced:	BrN2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	209.97926
ΔH_f, kcal/mol:	33.26
Dipole, Da:	2.45
IP(EA), eV:	-9.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CC(=CC(C1=CC(=CN=C1)Br)N)C

DOS

IR

Vibrations