Geometry & MOs

Info

ID:	26269
PubChem CID:	642855
Reduced:	NOC10H15 (1)
Stoich.:	ABC10D15 (1)
Weight, g/mol:	108.057515
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	3.31
IP(EA), eV:	-9.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-hept-2-en-4-ynal

Drug info:

PubChemData

Smile

C[C@H](C(C)(C)C1=CC=CC=N1)O

DOS

IR

Vibrations