Geometry & MOs

Info

ID:	362014
PubChem CID:	127305367
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	390.150347
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	1.56
IP(EA), eV:	-8.89(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCN1CCCC1C(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations