Geometry & MOs

Info

ID:	203522
PubChem CID:	79840619
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	194.061076
ΔH_f, kcal/mol:	-10.92
Dipole, Da:	5.19
IP(EA), eV:	-8.7(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-methylbut-3-yn-2-yl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC2=C(C=NC=C2)Cl

DOS

IR

Vibrations