Geometry & MOs

Info

ID:	372157
PubChem CID:	131293913
Reduced:	INF3H9C10 (1)
Stoich.:	ABC3D9E10 (1)
Weight, g/mol:	189.101445
ΔH_f, kcal/mol:	-126.4
Dipole, Da:	2.33
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-pyrrolidin-1-ylpyridazine-4-carbonitrile

Drug info:

PubChemData

Smile

C1[C@H](NCC2=C1C=C(C=C2)I)C(F)(F)F

DOS

IR

Vibrations