Geometry & MOs

Info

ID:	323955
PubChem CID:	126676668
Reduced:	F3N3O3C25H42 (1)
Stoich.:	A3B3C3D25E42 (1)
Weight, g/mol:	392.207307
ΔH_f, kcal/mol:	-339.62
Dipole, Da:	5.99
IP(EA), eV:	-8.91(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[(1-methoxyisoquinolin-7-yl)methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1CCC(CC1COC2CCC(CC2)C3NCC4CN(CCC4N3)CCC(=O)O)C(F)(F)F

DOS

IR

Vibrations