Geometry & MOs

Info

ID:	385001
PubChem CID:	134978118
Reduced:	C11H14 (1)
Stoich.:	A11B14 (1)
Weight, g/mol:	107.037114
ΔH_f, kcal/mol:	36.42
Dipole, Da:	1.25
IP(EA), eV:	-9.32(1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-5-isocyanatopent-3-en-1-yne

Drug info:

PubChemData

Smile

C#C[C@@H]1C[C@@H]2CC=C[C@@H](C2)C1

DOS

IR

Vibrations