Geometry & MOs

Info

ID:	285028
PubChem CID:	104091711
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	192.137497
ΔH_f, kcal/mol:	-32.19
Dipole, Da:	2.14
IP(EA), eV:	-9.4(1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(C)C(CCCC#C)N

DOS

IR

Vibrations