Geometry & MOs

Info

ID:	221588
PubChem CID:	85281224
Reduced:	O2N6C13H16 (1)
Stoich.:	A2B6C13D16 (1)
Weight, g/mol:	282.091689
ΔH_f, kcal/mol:	96.03
Dipole, Da:	9.49
IP(EA), eV:	-9.26(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(3-fluorophenyl)methylimino]quinazolin-4-one

Drug info:

PubChemData

Smile

CN(C)C=NC1C(C(NN1)C2=CC=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations