Geometry & MOs

Info

ID:	323951
PubChem CID:	126676661
Reduced:	F3N3O3C24H40 (1)
Stoich.:	A3B3C3D24E40 (1)
Weight, g/mol:	424.233522
ΔH_f, kcal/mol:	-339.35
Dipole, Da:	2.09
IP(EA), eV:	-8.97(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[[(Z)-3-amino-2-[(3,6-diamino-2-hydrazinylpyridin-4-yl)methyl]prop-2-enylidene]amino]methyl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CC(C1)C(F)(F)F)COC2CCC(CC2)C3NCC4CN(CCC4N3)CCC(=O)O

DOS

IR

Vibrations