Geometry & MOs

Info

ID:	363109
PubChem CID:	127310142
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	3.98
IP(EA), eV:	-8.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-4-[2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations