Geometry & MOs

Info

ID:	323942
PubChem CID:	126676648
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	388.233522
ΔH_f, kcal/mol:	-24.81
Dipole, Da:	1.51
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-[(3,6-diamino-2-hydrazinylpyridin-4-yl)methyl]pyrazol-1-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC#CC(C)CC1=CC(=C2C=COC2=C1)CO

DOS

IR

Vibrations