Geometry & MOs

Info

ID:	350287
PubChem CID:	127277365
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	391.193215
ΔH_f, kcal/mol:	20.14
Dipole, Da:	6.52
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations