Geometry & MOs

Info

ID:	294350
PubChem CID:	117454024
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	5.78
IP(EA), eV:	-9.11(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-7-(piperidin-4-ylmethyl)isoquinoline

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C2(CCCC2)CN)S(=O)(=O)C

DOS

IR

Vibrations