Geometry & MOs

Info

ID:	370652
PubChem CID:	127339811
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-25.9
Dipole, Da:	4.36
IP(EA), eV:	-9.31(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-4-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CCC3=NC(=NO3)C(C)(C)C

DOS

IR

Vibrations