Geometry & MOs

Info

ID:	208359
PubChem CID:	80523881
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	57.82
Dipole, Da:	6.39
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-4-pyridin-3-yl-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=CN=CC=C3

DOS

IR

Vibrations