Geometry & MOs

Info

ID:	425754
PubChem CID:	135127798
Reduced:	ClFON5C25H35 (1)
Stoich.:	ABCD5E25F35 (1)
Weight, g/mol:	439.193902
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	9.63
IP(EA), eV:	-9.02(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-N-(3-chloro-4-fluorophenyl)-6-[3-(dimethylamino)propyl]-2-(2H-pyridin-3-ylidene)-3,4-dihydro-1H-quinazolin-4-amine

Drug info:

PubChemData

Smile

COC1C(CCCN1)C2CCC3C(C2)C(N=C(N3)C4CC=CN=C4)NC5CC(=C(C=C5)F)Cl

DOS

IR

Vibrations