Geometry & MOs

Info

ID:	362002
PubChem CID:	127305348
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	390.150347
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	2.78
IP(EA), eV:	-9.47(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-4-[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C=CC=NC2=O)CN3C=CC=N3

DOS

IR

Vibrations