Geometry & MOs

Info

ID:	145224
PubChem CID:	53481931
Reduced:	N2O3H34C35 (1)
Stoich.:	A2B3C34D35 (1)
Weight, g/mol:	431.16452
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	8.78
IP(EA), eV:	-8.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N(C2=C1C=C(C=C2)C(=O)NCC3=CC(=CC=C3)C(C)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)C

DOS

IR

Vibrations