Geometry & MOs

Info

ID:	368261
PubChem CID:	127327815
Reduced:	F2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	379.204196
ΔH_f, kcal/mol:	-189.21
Dipole, Da:	4.94
IP(EA), eV:	-9.2(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCNC(=O)NC2CC2C3=C(C=CC=C3F)F

DOS

IR

Vibrations