Geometry & MOs

Info

ID:	141348
PubChem CID:	52864407
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	400.142107
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	1.03
IP(EA), eV:	-8.61(0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[5-[[[(1R)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]methyl]-7-oxopyrazolo[1,5-a]pyrimidin-3-ylidene]-ethoxymethanolate

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CCCC2=CC=CC=C2)C3OCCO3

DOS

IR

Vibrations