Geometry & MOs

Info

ID:	323958
PubChem CID:	126676671
Reduced:	NO3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	446.229106
ΔH_f, kcal/mol:	-78.49
Dipole, Da:	1.36
IP(EA), eV:	-9.1(-1.15)
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-(pyrimidin-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

COC1=NC=C2C=C(C=CC2=C1)C(=O)OC

DOS

IR

Vibrations