Geometry & MOs

Info

ID:	298818
PubChem CID:	117659204
Reduced:	OF2N4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	458.166666
ΔH_f, kcal/mol:	-31.79
Dipole, Da:	4.26
IP(EA), eV:	-8.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,4-difluorophenyl)-N-methyl-8-(2-pyrazol-1-ylethoxy)-2-pyridin-3-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC2=C1N=C(N=C2NC)C3=CN=CC=C3)C4=C(C=C(C=C4)F)F

DOS

IR

Vibrations