Geometry & MOs

Info

ID:	394289
PubChem CID:	135022683
Reduced:	O3N5H25C31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	418.090467
ΔH_f, kcal/mol:	75.8
Dipole, Da:	9.73
IP(EA), eV:	-8.67(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-bis[4-(trifluoromethyl)phenyl]quinazoline

Drug info:

PubChemData

Smile

C#CC[C@@]1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)CC4=CN(N=N4)CCN5C(=O)C6=CC=CC=C6C5=O

DOS

IR

Vibrations