Geometry & MOs

Info

ID:	264541
PubChem CID:	103469360
Reduced:	N5H9C10 (1)
Stoich.:	A5B9C10 (1)
Weight, g/mol:	253.05753
ΔH_f, kcal/mol:	109.36
Dipole, Da:	3.79
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=NC(=C(C=C2)N)C#N

DOS

IR

Vibrations