Geometry & MOs

Info

ID:	425758
PubChem CID:	135127846
Reduced:	ClO2N5H24C29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	378.068367
ΔH_f, kcal/mol:	44.73
Dipole, Da:	1.18
IP(EA), eV:	-8.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N=C2NC3=CC=CC=C3C(=O)NCCC4=CC=C(C=C4)Cl)C5=CN=CC=C5

DOS

IR

Vibrations