Geometry & MOs

Info

ID:	190394
PubChem CID:	77996513
Reduced:	FO2N5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	215.107005
ΔH_f, kcal/mol:	-93.98
Dipole, Da:	3.97
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(aminomethyl)-6-fluoro-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1CC(OC1N2C=C(C3=C(N=C(N=C32)N)N)F)CO

DOS

IR

Vibrations