Geometry & MOs

Info

ID:	165719
PubChem CID:	74586667
Reduced:	ON2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	375.207053
ΔH_f, kcal/mol:	24.45
Dipole, Da:	9.65
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-5-oxo-N-(4-propan-2-ylphenyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-triazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC5=CN=CC=C5

DOS

IR

Vibrations