Geometry & MOs

Info

ID:	426946
PubChem CID:	135154686
Reduced:	PF4O4N7C24H32 (1)
Stoich.:	AB4C4D7E24F32 (1)
Weight, g/mol:	386.070116
ΔH_f, kcal/mol:	-368.66
Dipole, Da:	5.9
IP(EA), eV:	-8.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)-3-pyridin-3-ylquinazolin-4-one;dihydrochloride

Drug info:

PubChemData

Smile

CCCOC(=O)C(C)(C)N[P@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N[C@H](C3=CC(=CC=C3)F)C(F)(F)F

DOS

IR

Vibrations