Geometry & MOs

Info

ID:	320796
PubChem CID:	126663484
Reduced:	BrN2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	242.153147
ΔH_f, kcal/mol:	46.19
Dipole, Da:	4.22
IP(EA), eV:	-9.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-N-methyl-4-(1-propylpyrazol-4-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(C(=C1Br)Br)C#N)N=C(C)N2CCNCC2)C

DOS

IR

Vibrations