Geometry & MOs

Info

ID:	360316
PubChem CID:	127300959
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	3.44
IP(EA), eV:	-8.72(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N3CCCC3C4=C(N(N=C4C)C)C)C

DOS

IR

Vibrations