Geometry & MOs

Info

ID:	363152
PubChem CID:	127310185
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	7.69
IP(EA), eV:	-9.0(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-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=COC4=C3C=C5CCCC5=C4

DOS

IR

Vibrations