Geometry & MOs

Info

ID:	360283
PubChem CID:	127300926
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	5.68
IP(EA), eV:	-8.67(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations