Geometry & MOs

Info

ID:	206204
PubChem CID:	80219122
Reduced:	BrClN2C14H14 (1)
Stoich.:	ABC2D14E14 (1)
Weight, g/mol:	208.076726
ΔH_f, kcal/mol:	44.44
Dipole, Da:	3.84
IP(EA), eV:	-9.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyridin-2-yl)-N-methylpent-4-yn-1-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC=C1)Br)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations