Geometry & MOs

Info

ID:	222663
PubChem CID:	85308072
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	212.17763
ΔH_f, kcal/mol:	-88.43
Dipole, Da:	4.9
IP(EA), eV:	-9.0(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridec-1-yne-6,8-diol

Drug info:

PubChemData

Smile

CC(C)(C)C1N(C(=O)C=CN1COC)C

DOS

IR

Vibrations