Geometry & MOs

Info

ID:	327440
PubChem CID:	126689914
Reduced:	ClFON5H19C21 (1)
Stoich.:	ABCD5E19F21 (1)
Weight, g/mol:	415.157516
ΔH_f, kcal/mol:	66.45
Dipole, Da:	6.31
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-chloro-4-fluorophenyl)-7-[(1,4-dimethylpyrrolidin-3-yl)methoxy]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CN1CC2C3C1C23COC4=C(C=C5C(=C4)N=CN=C5NC6=CC(=C(C=C6)F)Cl)N

DOS

IR

Vibrations