Geometry & MOs

Info

ID:	187423
PubChem CID:	77571702
Reduced:	F3N4O4C23H25 (1)
Stoich.:	A3B4C4D23E25 (1)
Weight, g/mol:	460.063587
ΔH_f, kcal/mol:	-264.45
Dipole, Da:	6.32
IP(EA), eV:	-8.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-fluorophenyl)-6-methoxy-7-pyrrolidin-3-yloxyquinazolin-4-amine;dihydrochloride

Drug info:

PubChemData

Smile

CCCOC1=C(C(=O)N2C=CC=CC2=N1)C3=CC=C(C=C3)NC4CCNC4.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations