Geometry & MOs

Info

ID:	425744
PubChem CID:	135127721
Reduced:	ClFON3H23C24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	371.118925
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	5.6
IP(EA), eV:	-8.77(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[3-(2-methylcyclopropyl)phenyl]-2-pyridin-3-ylquinazoline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=NC(=C)C2=CN=CC=C2)NC3=CC(=C(C=C3)F)Cl)C)C

DOS

IR

Vibrations