Geometry & MOs

Info

ID:	199333
PubChem CID:	79231299
Reduced:	S2N5C9H11 (1)
Stoich.:	A2B5C9D11 (1)
Weight, g/mol:	250.098524
ΔH_f, kcal/mol:	97.51
Dipole, Da:	4.04
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-chloropyrazol-1-yl)methyl]-N-propylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SCC2=NC(=CC=C2)NN

DOS

IR

Vibrations