Geometry & MOs

Info

ID:	228251
PubChem CID:	87563747
Reduced:	ON4F6H18C22 (1)
Stoich.:	AB4C6D18E22 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	-284.35
Dipole, Da:	8.59
IP(EA), eV:	-9.31(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethynylphenyl)-1H-quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(F)(F)F)C(=O)N2CCC(C2)NC3=CN=C4C=CC(=CC4=N3)C(F)(F)F

DOS

IR

Vibrations