Geometry & MOs

Info

ID:	257155
PubChem CID:	103144087
Reduced:	NO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	211.063329
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	2.29
IP(EA), eV:	-8.65(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-isoquinolin-8-ylprop-2-ynoate

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCCC2C3CCCC3O

DOS

IR

Vibrations