Geometry & MOs

Info

ID:	323848
PubChem CID:	126676319
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	410.217872
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	1.59
IP(EA), eV:	-9.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(3,6-diamino-2-hydrazinylpyridin-4-yl)methyl]pyrazol-1-yl]methyl]-N-(1-hydroxypropan-2-yl)benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N=C(C=C2)OCC=C

DOS

IR

Vibrations