Geometry & MOs

Info

ID:	360300
PubChem CID:	127300943
Reduced:	ON6C19H22 (1)
Stoich.:	AB6C19D22 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	59.49
Dipole, Da:	3.69
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzoylpyrrolidin-2-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations