Geometry & MOs

Info

ID:	256253
PubChem CID:	103138004
Reduced:	SN2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	76.66
Dipole, Da:	3.04
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-bicyclo[2.2.1]heptanyl(isoquinolin-8-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=CC=CS3

DOS

IR

Vibrations