Geometry & MOs

Info

ID:	189499
PubChem CID:	77866200
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	24.88
Dipole, Da:	1.34
IP(EA), eV:	-8.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(2-isoquinolin-6-yl-2,3-dihydrothiophen-5-yl)-3-(4-methoxyphenyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

C=NC=C(C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O)N=NN

DOS

IR

Vibrations