Geometry & MOs

Info

ID:	323933
PubChem CID:	126676637
Reduced:	N6O10C17H34 (1)
Stoich.:	A6B10C17D34 (1)
Weight, g/mol:	434.229106
ΔH_f, kcal/mol:	-443.01
Dipole, Da:	5.4
IP(EA), eV:	-9.4(0.63)
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]-N-(1H-pyrazol-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)O)O)O)N)OC3C(C(C(O3)CN=C(N)N)O)O)O)N

DOS

IR

Vibrations