Geometry & MOs

Info

ID:	331612
PubChem CID:	127249621
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	446.243024
ΔH_f, kcal/mol:	8.16
Dipole, Da:	2.13
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[7-(1-benzoylpyrrolidin-3-yl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CCN(C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations