Geometry & MOs

Info

ID:	298813
PubChem CID:	117658978
Reduced:	F2O2N5H21C25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	374.154289
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	5.8
IP(EA), eV:	-8.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CNC(=O)C1CN(C1)C2=NC(=NC3=C2C=C(C=C3OC)C4=C(C=CC(=C4)F)F)C5=CN=CC=C5

DOS

IR

Vibrations