Geometry & MOs

Info

ID:	383758
PubChem CID:	134975669
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	64.047657
ΔH_f, kcal/mol:	-79.23
Dipole, Da:	1.41
IP(EA), eV:	-8.14(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dilithium;but-1-en-3-yne

Drug info:

PubChemData

Smile

CCOC(CC1=CNC2=C1C=C(C=C2)C)OCC

DOS

IR

Vibrations