Geometry & MOs

Info

ID:	425741
PubChem CID:	135127703
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	334.159375
ΔH_f, kcal/mol:	17.84
Dipole, Da:	5.28
IP(EA), eV:	-8.35(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-fluorophenyl)-N-methyl-2-[(E)-1-methyliminobut-2-en-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

C/C=C/C(=O)C1=CC=C(C=C1)N2CCN(CC2)N

DOS

IR

Vibrations