Geometry & MOs

Info

ID:	370441
PubChem CID:	127338760
Reduced:	SO2F3N6C11H15 (1)
Stoich.:	AB2C3D6E11F15 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-172.64
Dipole, Da:	4.49
IP(EA), eV:	-9.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-3-yl)-(4-pyrrolidin-1-ylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)NC(=O)CSC2=NN=NN2CC(F)(F)F

DOS

IR

Vibrations