Geometry & MOs

Info

ID:	441036
PubChem CID:	135232787
Reduced:	NO3F6H13C19 (2)
Stoich.:	AB3C6D13E19 (2)
Weight, g/mol:	175.085795
ΔH_f, kcal/mol:	-764.74
Dipole, Da:	3.62
IP(EA), eV:	-9.31(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-aminopyrazol-1-yl)pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C(C2=CC(=C(C=C2)O)N3C(=O)C4=C(C3=O)C=C(C=C4)C(C5=CC(=C(C=C5)C=O)C(=O)NC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations