Geometry & MOs

Info

ID:	425794
PubChem CID:	135128047
Reduced:	N4H20C21 (1)
Stoich.:	A4B20C21 (1)
Weight, g/mol:	399.211076
ΔH_f, kcal/mol:	107.04
Dipole, Da:	2.8
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluorophenyl)-N,N,8-trimethyl-2-[(3E,5Z)-2-methylocta-1,3,5,7-tetraen-4-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2)C3=CN=CC=C3)C4=CC=CCCC4

DOS

IR

Vibrations