Geometry & MOs

Info

ID:	333500
PubChem CID:	127252052
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	447.137654
ΔH_f, kcal/mol:	4.59
Dipole, Da:	6.43
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=C1)N=CC(=C2C3CN(CCO3)CC4=CC=CC=C4)CNC(=O)C

DOS

IR

Vibrations