Geometry & MOs

Info

ID:	360307
PubChem CID:	127300950
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	389.221561
ΔH_f, kcal/mol:	20.72
Dipole, Da:	6.87
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=CS2)CC(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations