Geometry & MOs

Info

ID:	441092
PubChem CID:	135233057
Reduced:	N2O2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	218.153147
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.39
IP(EA), eV:	-9.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2E,4Z,6Z)-6-ethylocta-2,4,6-trien-3-yl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CN(CC(C#C)N)CC(=O)O

DOS

IR

Vibrations