Geometry & MOs

Info

ID:	360290
PubChem CID:	127300933
Reduced:	FO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	-88.52
Dipole, Da:	4.33
IP(EA), eV:	-8.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-2-phenylpyrazol-3-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3CC(=O)N(C3)C4=CC=CC=C4F

DOS

IR

Vibrations