Geometry & MOs

Info

ID:	323855
PubChem CID:	126676357
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	424.233522
ΔH_f, kcal/mol:	80.15
Dipole, Da:	3.62
IP(EA), eV:	-8.21(-0.55)
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]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC=C(C=C2)CN3C=C(C=N3)CC4=CC(=NC(=C4N)N)N

DOS

IR

Vibrations