Geometry & MOs

Info

ID:	298815
PubChem CID:	117659136
Reduced:	FON6C27H29 (1)
Stoich.:	ABC6D27E29 (1)
Weight, g/mol:	440.176087
ΔH_f, kcal/mol:	28.96
Dipole, Da:	2.02
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=C(C=C2OCCN3CCN(CC3)C)C4=CC(=CC=C4)F)C5=CN=CC=C5

DOS

IR

Vibrations