Geometry & MOs

Info

ID:	285029
PubChem CID:	104091801
Reduced:	N2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	206.153147
ΔH_f, kcal/mol:	72.77
Dipole, Da:	4.03
IP(EA), eV:	-9.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-1-(1H-1,2,4-triazol-5-yl)hex-5-yn-1-amine

Drug info:

PubChemData

Smile

CCNC(CCCC#C)C1=NC=NN1

DOS

IR

Vibrations