Geometry & MOs

Info

ID:	255957
PubChem CID:	103135913
Reduced:	NOC16H31 (1)
Stoich.:	ABC16D31 (1)
Weight, g/mol:	262.146999
ΔH_f, kcal/mol:	-98.58
Dipole, Da:	2.04
IP(EA), eV:	-8.75(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylphenyl)-isoquinolin-8-ylmethanamine

Drug info:

PubChemData

Smile

CCCNC(CCC1CCC(O1)C)C2CCCC2

DOS

IR

Vibrations