Geometry & MOs

Info

ID:	220923
PubChem CID:	85240513
Reduced:	OC10H11 (2)
Stoich.:	AB10C11 (2)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	1.51
IP(EA), eV:	-9.52(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,6-dimethyl-3-(piperidine-3-carbonylamino)hept-4-ynoate

Drug info:

PubChemData

Smile

CCCCC=COC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations