Geometry & MOs

Info

ID:	392169
PubChem CID:	135013492
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	372.20893
ΔH_f, kcal/mol:	-40.67
Dipole, Da:	1.34
IP(EA), eV:	-8.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-diphenylnona-1,8-diyn-3-yl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C=O)OC1=CC=CC=C1C=C

DOS

IR

Vibrations