Geometry & MOs

Info

ID:	427570
PubChem CID:	135160076
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	505.206008
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	7.1
IP(EA), eV:	-8.57(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(E)-2-amino-1-[amino(ethyl)amino]ethenyl]sulfanyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC=C(N2)/C=C/C(=O)O)N

DOS

IR

Vibrations