Geometry & MOs

Info

ID:	360320
PubChem CID:	127300963
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-95.91
Dipole, Da:	4.19
IP(EA), eV:	-9.03(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)N1CCCC(C1)C(=O)N2CCCC2C3=C(N(N=C3C)C)C

DOS

IR

Vibrations