Geometry & MOs

Info

ID:	425796
PubChem CID:	135128050
Reduced:	ON2H22C23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	371.160932
ΔH_f, kcal/mol:	62.84
Dipole, Da:	1.6
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexa-1,3-dien-1-yl-6-(2,4-difluorocyclohexa-2,4-dien-1-yl)-8-fluoro-N-methyl-1,2-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\C1=NC(=C2C=C(C=CC2=C1)C3=CC(=CC=C3)OC)N

DOS

IR

Vibrations