Geometry & MOs

Info

ID:	277559
PubChem CID:	103829459
Reduced:	SN2O2C14H30 (1)
Stoich.:	AB2C2D14E30 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-134.07
Dipole, Da:	5.39
IP(EA), eV:	-8.89(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-octan-4-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NCC1(CCCCCC1)N

DOS

IR

Vibrations