Geometry & MOs

Info

ID:	407824
PubChem CID:	135080579
Reduced:	ClN3H8C12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	87.05
Dipole, Da:	2.91
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-(methoxymethyl)pent-1-en-3-yne

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)N(C=C2)C3=C(N=CC=C3)Cl

DOS

IR

Vibrations