Geometry & MOs

Info

ID:	370664
PubChem CID:	127339823
Reduced:	ON6C21H26 (1)
Stoich.:	AB6C21D26 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	53.88
Dipole, Da:	4.36
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-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(N(N=N3)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations