Geometry & MOs

Info

ID:	327444
PubChem CID:	126689920
Reduced:	ClFON4C24H26 (1)
Stoich.:	ABCD4E24F26 (1)
Weight, g/mol:	511.215031
ΔH_f, kcal/mol:	-12.14
Dipole, Da:	5.22
IP(EA), eV:	-8.82(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(2-methylcyclopentyl)methoxy]quinazolin-6-yl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC2CCOC3=CC4=C(C=C3)C(=NC=N4)NC5=CC(=C(C=C5)F)Cl

DOS

IR

Vibrations