Geometry & MOs

Info

ID:	360304
PubChem CID:	127300947
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	3.73
IP(EA), eV:	-8.32(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2)C(=O)N3CCCC3C4=C(N(N=C4C)C)C)C

DOS

IR

Vibrations