Geometry & MOs

Info

ID:	276468
PubChem CID:	103823528
Reduced:	NOSF4H13C14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	271.204848
ΔH_f, kcal/mol:	-199.66
Dipole, Da:	3.44
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N-(isoquinolin-4-ylmethyl)-N'-propylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CSC=C1C(CNCC2=CC(=CC(=C2)F)C(F)(F)F)O

DOS

IR

Vibrations