Geometry & MOs

Info

ID:	363315
PubChem CID:	127310732
Reduced:	SN2O2C20H30 (1)
Stoich.:	AB2C2D20E30 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	5.4
IP(EA), eV:	-8.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CCC2=CC=CC=C2O)N3CCSCC3

DOS

IR

Vibrations