Geometry & MOs

Info

ID:	327436
PubChem CID:	126689905
Reduced:	ClFO2N5C23H25 (1)
Stoich.:	ABC2D5E23F25 (1)
Weight, g/mol:	433.148094
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	7.31
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-[(2-fluoro-1,5-dimethylpyrrolidin-3-yl)methoxy]quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

C1CC2(CCNCC2)OC1COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)N

DOS

IR

Vibrations