Geometry & MOs

Info

ID:	425766
PubChem CID:	135127899
Reduced:	OF3N5H18C25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	496.258674
ΔH_f, kcal/mol:	-22.0
Dipole, Da:	6.0
IP(EA), eV:	-8.88(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(1-aminoethyl)anilino]-2-pyridin-3-ylquinazolin-6-yl]oxy-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C2CC(=C3C(=C2)C(=NC(=N3)C4=CN=CC=C4)NC5=CC(=C(C=C5)F)F)F

DOS

IR

Vibrations