Geometry & MOs

Info

ID:	449445
PubChem CID:	135298653
Reduced:	NO2H19C23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	475.213201
ΔH_f, kcal/mol:	4.77
Dipole, Da:	4.37
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(6-but-2-ynoyl-6-azaspiro[3.4]octan-2-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC12CC(=O)CC1(C3=CC4=CC=CC=C4N=C3C5=CC=CC=C25)CC=O

DOS

IR

Vibrations