Geometry & MOs

Info

ID:	425804
PubChem CID:	135128075
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	348.175025
ΔH_f, kcal/mol:	42.42
Dipole, Da:	7.1
IP(EA), eV:	-8.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluorocyclohexa-2,4-dien-1-yl)-N,5-dimethyl-2-pyridin-3-yl-1,4-dihydroquinazolin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=CCC(C=C21)C3=C(C=CC(=C3)OC)OC)C4=CN=CC=C4

DOS

IR

Vibrations