Geometry & MOs

Info

ID:	396260
PubChem CID:	135027882
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-95.93
Dipole, Da:	3.07
IP(EA), eV:	-8.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,3-dimethylpent-4-ynoate

Drug info:

PubChemData

Smile

CCCC\1=C(C2=CC=CC=C2O/C1=C(\C)/C(=O)C)O

DOS

IR

Vibrations