Geometry & MOs

Info

ID:

327446

PubChem CID:

126689923

Reduced:

ClFO2N5C26H29 (1)

Stoich.:

ABC2D5E26F29 (1)

Weight, g/mol:

672.2085

ΔHf, kcal/mol:

-67.13

Dipole, Da:

9.26

IP(EA), eV:

 -8.57(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-4-(dimethylamino)-N-[4-[4-fluoro-3-(iodomethyl)anilino]-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCCC1CC(CC(N1)C)OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)NC(=O)C=C

DOS

IR

Vibrations