Geometry & MOs

Info

ID:	370658
PubChem CID:	127339817
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-23.08
Dipole, Da:	3.21
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-4-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=C(C4=C(O3)C=CC(=C4)Cl)C

DOS

IR

Vibrations