Geometry & MOs

Info

ID:	161527
PubChem CID:	57391909
Reduced:	ClN5C10H12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	148.087472
ΔH_f, kcal/mol:	72.73
Dipole, Da:	8.07
IP(EA), eV:	-9.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-prop-2-ynylpyridin-1-ium-3,4-diamine

Drug info:

PubChemData

Smile

C1CN=C(N1)CN2C3=CC=CC=C3N=N2.Cl

DOS

IR

Vibrations