Geometry & MOs

Info

ID:	370659
PubChem CID:	127339818
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	6.79
IP(EA), eV:	-9.14(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCC(CC3)C4=CN(N=C4)CC

DOS

IR

Vibrations