Geometry & MOs

Info

ID:	333501
PubChem CID:	127252053
Reduced:	FSO4N5C20H22 (1)
Stoich.:	ABC4D5E20F22 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-117.76
Dipole, Da:	5.99
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[7-[4-(cyclopentanecarbonyl)morpholin-2-yl]-2-methylpyrazolo[1,5-a]pyrimidin-6-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C1)N=CC(=C2C3CN(CCO3)S(=O)(=O)C4=CC=C(C=C4)F)CNC(=O)C

DOS

IR

Vibrations