Geometry & MOs

Info

ID:	166284
PubChem CID:	74663025
Reduced:	OF2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	336.188744
ΔH_f, kcal/mol:	-87.15
Dipole, Da:	16.95
IP(EA), eV:	-6.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,7-difluoro-3-[2-(1-propan-2-ylpiperidin-2-yl)ethyl]-4aH-quinazolin-3-ium-4-one

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCCCC1CC[N+]2=CN=C3C=C(C(=CC3C2=O)F)F

DOS

IR

Vibrations