Geometry & MOs

Info

ID:	207642
PubChem CID:	80432469
Reduced:	SN2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	72.01
Dipole, Da:	4.13
IP(EA), eV:	-8.37(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-ethyl-N-isoquinolin-8-ylhexanamide

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2CS1)NC3=CC=CC4=C3C=NC=C4

DOS

IR

Vibrations