Geometry & MOs

Info

ID:	360322
PubChem CID:	127300965
Reduced:	BrON5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	374.268176
ΔH_f, kcal/mol:	40.46
Dipole, Da:	7.99
IP(EA), eV:	-8.72(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[1-oxo-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations